Murcko scaffold
Ring system with 3 rings and 21 atoms
99 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 21
- Chemicals
- 99
- With full pages
- 3
Scaffold SMILES
O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1ccccc1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1ccccc1](/scaffold/AQQOKBNMQAVCQZ-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 99 chemicals
![N-(3-Nitrophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10N6O4S, CAS 877638-24-9](/s/SEYAFPPVINSAOV-UHFFFAOYSA-N.svg)
N-(3-Nitrophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-24-9C13H10N6O4S
![N-(4-Nitrophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10N6O4S, CAS 877638-26-1](/s/FYMKZQSMUSLWFV-UHFFFAOYSA-N.svg)
N-(4-Nitrophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-26-1C13H10N6O4S
![N-(3-Nitrophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C16H16N6O4S, CAS 891123-08-3](/s/HEVMAYVKCUPSCD-UHFFFAOYSA-N.svg)
N-(3-Nitrophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 891123-08-3C16H16N6O4S
![N-(4-Nitrophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C16H16N6O4S, CAS 891123-16-3](/s/RNYGKBADJYZALS-UHFFFAOYSA-N.svg)
N-(4-Nitrophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 891123-16-3C16H16N6O4S
![2-((5,6-Dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(3-nitrophenyl)acetamide chemical structure, C15H14N6O4S, CAS 891130-62-4](/s/WTGKEFPEMUVIBE-UHFFFAOYSA-N.svg)
2-((5,6-Dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(3-nitrophenyl)acetamide
CAS 891130-62-4C15H14N6O4S
![2-((5,6-Dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-nitrophenyl)acetamide chemical structure, C15H14N6O4S, CAS 891130-70-4](/s/TZPKAJIGBVOSKU-UHFFFAOYSA-N.svg)
2-((5,6-Dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-nitrophenyl)acetamide
CAS 891130-70-4C15H14N6O4S
![2-((7-Oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(o-tolyl)acetamide chemical structure, C14H13N5O2S, CAS 877637-94-0](/s/WCOBRSWQONNYIT-UHFFFAOYSA-N.svg)
2-((7-Oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(o-tolyl)acetamide
CAS 877637-94-0C14H13N5O2S
![N-(2,3-Dimethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C15H15N5O2S, CAS 877637-98-4](/s/HKRSVOUUYIBKJK-UHFFFAOYSA-N.svg)
N-(2,3-Dimethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877637-98-4C15H15N5O2S
![N-(2,4-Dimethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C15H15N5O2S, CAS 877638-00-1](/s/UWKFBEXTGYIRDP-UHFFFAOYSA-N.svg)
N-(2,4-Dimethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-00-1C15H15N5O2S
![N-(4-Ethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C15H15N5O2S, CAS 877638-04-5](/s/SLPBMNAKPLIWRZ-UHFFFAOYSA-N.svg)
N-(4-Ethylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-04-5C15H15N5O2S
![N-(4-Butylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C17H19N5O2S, CAS 877638-06-7](/s/SNQGZTJBZDHVJX-UHFFFAOYSA-N.svg)
N-(4-Butylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-06-7C17H19N5O2S
![N-(2-Fluorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10FN5O2S, CAS 877638-08-9](/s/XTXBCLYFPVHSLN-UHFFFAOYSA-N.svg)
N-(2-Fluorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-08-9C13H10FN5O2S
![N-(3,4-Dimethoxyphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C15H15N5O4S, CAS 877638-16-9](/s/XGXHBBBHNUQPJP-UHFFFAOYSA-N.svg)
N-(3,4-Dimethoxyphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-16-9C15H15N5O4S
![2-((7-Oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide chemical structure, C14H10F3N5O2S, CAS 877638-20-5](/s/LEFUXZKLTASGTP-UHFFFAOYSA-N.svg)
2-((7-Oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide
CAS 877638-20-5C14H10F3N5O2S
![Ethyl 2-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate chemical structure, C16H15N5O4S, CAS 877638-28-3](/s/ACBBWZOXDXHOQI-UHFFFAOYSA-N.svg)
Ethyl 2-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate
CAS 877638-28-3C16H15N5O4S
![Ethyl 4-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate chemical structure, C16H15N5O4S, CAS 877638-30-7](/s/QSMDPWWYZJCFKO-UHFFFAOYSA-N.svg)
Ethyl 4-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate
CAS 877638-30-7C16H15N5O4S
![Methyl 4-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate chemical structure, C15H13N5O4S, CAS 877638-32-9](/s/WTFFMOLTCMGUFZ-UHFFFAOYSA-N.svg)
Methyl 4-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate
CAS 877638-32-9C15H13N5O4S
![N-(3-Acetamidophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C15H14N6O3S, CAS 877638-34-1](/s/ZLQWKDRVQKPFNZ-UHFFFAOYSA-N.svg)
N-(3-Acetamidophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-34-1C15H14N6O3S
![N-(3-Chlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10ClN5O2S, CAS 877638-52-3](/s/JDZPQYFVTMLCAK-UHFFFAOYSA-N.svg)
N-(3-Chlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-52-3C13H10ClN5O2S
![N-(4-Chlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10ClN5O2S, CAS 877638-53-4](/s/CKNUIUZKWAIKRF-UHFFFAOYSA-N.svg)
N-(4-Chlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-53-4C13H10ClN5O2S
![N-(4-Bromophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H10BrN5O2S, CAS 877638-54-5](/s/RUNHSGVNJBGPIZ-UHFFFAOYSA-N.svg)
N-(4-Bromophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-54-5C13H10BrN5O2S
![N-(3,4-Dichlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C13H9Cl2N5O2S, CAS 877638-55-6](/s/NNXMHWXPESOZNA-UHFFFAOYSA-N.svg)
N-(3,4-Dichlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-55-6C13H9Cl2N5O2S
![N-(3-Chloro-4-methylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C14H12ClN5O2S, CAS 877638-56-7](/s/AYSQCLBWOGAGKU-UHFFFAOYSA-N.svg)
N-(3-Chloro-4-methylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 877638-56-7C14H12ClN5O2S
![N-(4-Butylphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide chemical structure, C20H25N5O2S, CAS 895003-65-3](/s/JPIFZJONZVPCJG-UHFFFAOYSA-N.svg)
N-(4-Butylphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
CAS 895003-65-3C20H25N5O2S
- N-(2,4-Dimethoxyphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-13-4C18H21N5O4S
- N-(2,5-Dimethoxyphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-21-4C18H21N5O4S
- N-(3,4-Dimethoxyphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-29-2C18H21N5O4S
- Ethyl 2-(2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate895004-37-2C19H21N5O4S
- Ethyl 4-(2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate895004-45-2C19H21N5O4S
- Methyl 4-(2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzoate895004-53-2C18H19N5O4S
- N-(4-Acetylphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-61-2C18H19N5O3S
- N-(3-Acetamidophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-69-0C18H20N6O3S
- N-(4-Acetamidophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895004-77-0C18H20N6O3S
- 4-(2-((7-Oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)benzamide895005-55-7C17H18N6O3S
- N-(2-Fluorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891125-95-4C16H16FN5O2S
- N-(3-Fluorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-03-7C16H16FN5O2S
- N-(4-Fluorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-11-7C16H16FN5O2S
- N-(4-Chlorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-27-5C16H16ClN5O2S
- N-(4-Bromophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-35-5C16H16BrN5O2S
- N-(2,4-Difluorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-43-5C16H15F2N5O2S
- N-(3,4-Dichlorophenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-51-5C16H15Cl2N5O2S
- N-(3-Chloro-4-methylphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide891126-59-3C17H18ClN5O2S
- N-(5-Chloro-2-methoxyphenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895005-97-7C17H18ClN5O3S
- 2-((7-Oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide895006-04-9C17H16F3N5O2S
- 2-((7-Oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide895006-11-8C17H16F3N5O2S
- 2-((7-Oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide895006-18-5C17H16F3N5O2S
- N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((7-oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide895006-25-4C17H15ClF3N5O2S
- 2-((7-Oxo-5-propyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide895006-32-3C17H16F3N5O3S
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