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Murcko scaffold

Ring system with 4 rings and 28 atoms

15 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
15
With full pages
3
Scaffold SMILES

O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)Nc1ccon1

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.

Substructure search with this scaffold
Murcko scaffold O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)Nc1ccon1

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 15 of 15 chemicals

2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide chemical structure, C20H17FN6O4S, CAS 852170-91-3
2-[7-(4-Fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS 852170-91-3C20H17FN6O4S
2-{[6,8-Dimethyl-2-(2-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C21H20N6O4S, CAS 872629-34-0
2-{[6,8-Dimethyl-2-(2-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide
CAS 872629-34-0C21H20N6O4S
2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C21H20N6O4S, CAS 872688-28-3
2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 872688-28-3C21H20N6O4S
2-[[1,3-Dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide chemical structure, C21H20N6O4S, CAS 872694-53-6
2-[[1,3-Dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CAS 872694-53-6C21H20N6O4S
2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C20H17FN6O4S, CAS 872854-54-1
2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 872854-54-1C20H17FN6O4S
2-[[7-(2-Chlorophenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide chemical structure, C20H17ClN6O4S, CAS 893906-98-4
2-[[7-(2-Chlorophenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CAS 893906-98-4C20H17ClN6O4S
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C20H18N6O4S, CAS 863003-44-5
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 863003-44-5C20H18N6O4S
2-((2-(4-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C21H20N6O5S, CAS 852168-95-7
2-((2-(4-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 852168-95-7C21H20N6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C20H17N7O6S, CAS 847190-65-2
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 847190-65-2C20H17N7O6S
2-((2-(3,5-Dimethylphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C22H22N6O4S, CAS 872842-61-0
2-((2-(3,5-Dimethylphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 872842-61-0C22H22N6O4S
2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C20H17ClN6O4S, CAS 893916-81-9
2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 893916-81-9C20H17ClN6O4S
2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C20H17ClN6O4S, CAS 893923-68-7
2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 893923-68-7C20H17ClN6O4S
2-((2-(2-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C21H20N6O5S, CAS 893914-70-0
2-((2-(2-Methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 893914-70-0C21H20N6O5S
2-{[2-(4-Bromophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide chemical structure, C20H17BrN6O4S, CAS 921067-84-7
2-{[2-(4-Bromophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS 921067-84-7C20H17BrN6O4S
2-((2-(3,4-Dimethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide chemical structure, C22H22N6O6S, CAS 893908-53-7
2-((2-(3,4-Dimethoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CAS 893908-53-7C22H22N6O6S