Murcko scaffold
Ring system with 4 rings and 29 atoms
17 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 29
- Chemicals
- 17
- With full pages
- 1
Scaffold SMILES
O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)NCC1CCCO1
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(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)NCC1CCCO1](/scaffold/IUAGWRANDJIYJW-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 17 of 17 chemicals
![2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22FN5O4S, CAS 852170-66-2](/s/VWOIUBAGPCMFCP-UHFFFAOYSA-N.svg)
2-((2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 852170-66-2C21H22FN5O4S
![2-((2-(4-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O5S, CAS 852168-89-9](/s/YFPABWVQDZRYBM-UHFFFAOYSA-N.svg)
2-((2-(4-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 852168-89-9C22H25N5O5S
![2-((6,8-Dimethyl-5,7-dioxo-2-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O4S, CAS 872629-31-7](/s/BKSXSIPUNPGVCC-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-5,7-dioxo-2-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 872629-31-7C22H25N5O4S
![2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O4S, CAS 872688-25-0](/s/OYGXMLIMQLAJHX-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 872688-25-0C22H25N5O4S
![2-((6,8-Dimethyl-5,7-dioxo-2-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O4S, CAS 872688-38-5](/s/RUSZUVSGUVNCEH-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-5,7-dioxo-2-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 872688-38-5C22H25N5O4S
![2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22FN5O4S, CAS 872854-50-7](/s/WPNGBAUMKLPXMJ-UHFFFAOYSA-N.svg)
2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 872854-50-7C21H22FN5O4S
![2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22ClN5O4S, CAS 893916-51-3](/s/OCUAKXXBBCMIHO-UHFFFAOYSA-N.svg)
2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 893916-51-3C21H22ClN5O4S
![2-((2-(2-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O5S, CAS 872838-35-2](/s/WRPNISAZBRTHBG-UHFFFAOYSA-N.svg)
2-((2-(2-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 872838-35-2C22H25N5O5S
![2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H23N5O4S, CAS 863003-39-8](/s/YOKDMDLHXGKJKN-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 863003-39-8C21H23N5O4S
![2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22N6O6S, CAS 847190-59-4](/s/JSFCDSZXRWMPPS-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 847190-59-4C21H22N6O6S
![2-((2-(3-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C22H25N5O5S, CAS 893920-82-6](/s/GSABTFJEEIHFPF-UHFFFAOYSA-N.svg)
2-((2-(3-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 893920-82-6C22H25N5O5S
![2-{[2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide chemical structure, C21H22ClN5O4S, CAS 893906-87-1](/s/MXBKXLGPXWWWLB-UHFFFAOYSA-N.svg)
2-{[2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
CAS 893906-87-1C21H22ClN5O4S
![2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22ClN5O4S, CAS 893923-31-4](/s/DYJKJOBKBHUJSH-UHFFFAOYSA-N.svg)
2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 893923-31-4C21H22ClN5O4S
![2-((2-(4-Ethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C23H27N5O5S, CAS 893910-07-1](/s/XDHHMKOPXRIYAR-UHFFFAOYSA-N.svg)
2-((2-(4-Ethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 893910-07-1C23H27N5O5S
![2-((2-(3,4-Dimethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C23H27N5O6S, CAS 921067-45-0](/s/PLVQOQXUMAOUQQ-UHFFFAOYSA-N.svg)
2-((2-(3,4-Dimethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 921067-45-0C23H27N5O6S
![2-((2-(4-Bromophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22BrN5O4S, CAS 920446-67-9](/s/MDAUKDFXVYQRIR-UHFFFAOYSA-N.svg)
2-((2-(4-Bromophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 920446-67-9C21H22BrN5O4S
![2-((6,8-Dimethyl-2-(3-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide chemical structure, C21H22N6O6S, CAS 893927-38-3](/s/DWUWOEDQGUBEHL-UHFFFAOYSA-N.svg)
2-((6,8-Dimethyl-2-(3-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CAS 893927-38-3C21H22N6O6S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)NCc1ccco1](/scaffold/LOAYAXLNZFIPIR-UHFFFAOYSA-N/structure.svg)
