Murcko scaffold
Ring system with 4 rings and 21 atoms
778 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 21
- Chemicals
- 778
- With full pages
- 28
Scaffold SMILES
O=c1[nH]c(=O)c2c(nc3n2CCCN3c2ccccc2)[nH]1
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=c1[nH]c(=O)c2c(nc3n2CCCN3c2ccccc2)[nH]1](/scaffold/WWOWWQCAVABTQB-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 778 chemicals
![1-Methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C16H17N5O2, CAS 164410-94-0](/s/WNXWYCNZVRRYSP-UHFFFAOYSA-N.svg)
1-Methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 164410-94-0C16H17N5O2
![9-(4-Methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O3, CAS 714941-60-3](/s/WLPHFAWNPAPAMW-UHFFFAOYSA-N.svg)
9-(4-Methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 714941-60-3C17H19N5O3
![1-Methyl-9-phenyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H19N5O2, CAS 332400-80-3](/s/IRLWRZKVBUVQSG-UHFFFAOYSA-N.svg)
1-Methyl-9-phenyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 332400-80-3C18H19N5O2
![1-Methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C15H15N5O2, CAS 164410-86-0](/s/JLJMDTWFIVXJPV-UHFFFAOYSA-N.svg)
1-Methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 164410-86-0C15H15N5O2
![9-(4-Methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C16H17N5O3, CAS 312915-43-8](/s/QFYFOZQYYSXZQY-UHFFFAOYSA-N.svg)
9-(4-Methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 312915-43-8C16H17N5O3
![3-Ethyl-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C17H19N5O2, CAS 326918-94-9](/s/DHYQUSWIOMVUNM-UHFFFAOYSA-N.svg)
3-Ethyl-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 326918-94-9C17H19N5O2
![1,3-Dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C16H17N5O2, CAS 97810-54-3](/s/MGXWDJXIYNWJRR-UHFFFAOYSA-N.svg)
1,3-Dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 97810-54-3C16H17N5O2
![3-Ethyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 844646-26-0](/s/NOCBBKPMQOKZCI-UHFFFAOYSA-N.svg)
3-Ethyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844646-26-0C18H21N5O2
![1,3-Dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O2, CAS 844647-58-1](/s/XFVVKLZWKMQSGH-UHFFFAOYSA-N.svg)
1,3-Dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844647-58-1C17H19N5O2
![3-Ethyl-1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 844653-73-2](/s/GGHNDLBVPLJAOB-UHFFFAOYSA-N.svg)
3-Ethyl-1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844653-73-2C18H21N5O2
![1-Methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C16H17N5O2, CAS 714941-40-9](/s/JQONXAJJJFMSMM-UHFFFAOYSA-N.svg)
1-Methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 714941-40-9C16H17N5O2
![9-(3,5-Dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O2, CAS 713083-05-7](/s/BGBWUFPRLAEROT-UHFFFAOYSA-N.svg)
9-(3,5-Dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 713083-05-7C17H19N5O2
![9-(3,4-Dimethylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 845902-90-1](/s/FDEBICZWWDTHOM-UHFFFAOYSA-N.svg)
9-(3,4-Dimethylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 845902-90-1C18H21N5O2
![9-(3,5-Dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C18H21N5O2, CAS 847246-35-9](/s/JKHBPDOOEGEKIK-UHFFFAOYSA-N.svg)
9-(3,5-Dimethylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847246-35-9C18H21N5O2
![9-(3,4-Dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O2, CAS 713129-31-8](/s/RYALRNJQTHMCMF-UHFFFAOYSA-N.svg)
9-(3,4-Dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 713129-31-8C17H19N5O2
![1-Methyl-9-phenyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 332400-72-3](/s/JPVJJKFHTCCQNN-UHFFFAOYSA-N.svg)
1-Methyl-9-phenyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 332400-72-3C18H21N5O2
![9-(4-Ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O3, CAS 714228-61-2](/s/ROWIRVDFWBXYKF-UHFFFAOYSA-N.svg)
9-(4-Ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 714228-61-2C17H19N5O3
![9-(3-Methoxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O3, CAS 847856-43-3](/s/RALDSBFAMMCIHW-UHFFFAOYSA-N.svg)
9-(3-Methoxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 847856-43-3C17H19N5O3
![9-(3-Methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C16H17N5O3, CAS 714238-81-0](/s/RYWILQPBWAIXHH-UHFFFAOYSA-N.svg)
9-(3-Methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 714238-81-0C16H17N5O3
![9-(4-Methoxyphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C17H19N5O3, CAS 848061-89-2](/s/MSUXCLCJUPDXTB-UHFFFAOYSA-N.svg)
9-(4-Methoxyphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848061-89-2C17H19N5O3
![9-(4-Ethylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 848736-60-7](/s/KLASZPGPSSHPHG-UHFFFAOYSA-N.svg)
9-(4-Ethylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848736-60-7C18H21N5O2
![1,3-Dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O2, CAS 848866-58-0](/s/FOFPUQIHAQCUQV-UHFFFAOYSA-N.svg)
1,3-Dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848866-58-0C17H19N5O2
![Ethyl 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate chemical structure, C19H21N5O4, CAS 164410-88-2](/s/SGDZXANYPBJOBI-UHFFFAOYSA-N.svg)
Ethyl 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate
CAS 164410-88-2C19H21N5O4
![1-Methyl-3-(3-methylbutyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C20H25N5O2, CAS 332400-73-4](/s/ABZYLIYNGURWBE-UHFFFAOYSA-N.svg)
1-Methyl-3-(3-methylbutyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 332400-73-4C20H25N5O2
- 2-(1-Methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide332400-82-5C17H18N6O3
- 9-(4-Ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione713089-17-9C17H19N5O2
- Butyl 2-(9-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate300805-69-0C23H29N5O5
- 7-Hydroxy-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione77351-06-5C16H17N5O4
- 8-(4-Ethoxy-PH)-6-HO-1-ME-5,6,7,8-4H-1H-1,3,4B,8,9-pentaaza-fluorene-2,4-dione77351-01-0C17H19N5O4
- 9-(4-Ethoxyphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione838869-29-7C20H23N5O3
- 9-(4-Fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione838886-02-5C15H14FN5O2
- 9-(4-Butylphenyl)-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1,2-h] purine-2,4-dione838894-06-7C19H23N5O2
- 9-(4-Fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione838896-62-1C16H16FN5O2
- 9-(4-Ethylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione838897-88-4C20H23N5O3
- 9-(2,4-Dimethoxyphenyl)-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione838898-96-7C19H23N5O4
- 9-(4-Methoxyphenyl)-1,7-dimethyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione839682-68-7C20H23N5O4
- 7-Hydroxy-1-methyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione77350-99-3C16H17N5O3
- 4,7-Dihydroxy-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one77351-02-1C16H17N5O3
- 3-Hexyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione300804-17-5C21H27N5O2
- 3-Heptyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione332400-77-8C22H29N5O2
- 7-Hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione335403-33-3C16H17N5O4
- 9-(4-Ethoxyphenyl)-7-hydroxy-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione80248-91-5C18H21N5O4
- 9-(4-Ethylphenyl)-7-hydroxy-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione333755-28-5C18H21N5O3
- 9-(3,4-Dimethylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione845627-98-7C20H23N5O2
- 9-(3,5-Dimethylphenyl)-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione846594-88-5C19H23N5O2
- 9-(3,5-Dimethylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione848870-40-6C20H23N5O3
- 1-Methyl-9-(3-methylphenyl)-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione847854-75-5C19H21N5O3
- 2-(1,7-Dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide848674-22-6C18H20N6O3
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![Scaffold c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1](/scaffold/INERHEQVAVQJBO-UHFFFAOYSA-N/structure.svg)
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