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Murcko scaffold

Ring system with 4 rings and 29 atoms

115 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
115
With full pages
2
Scaffold SMILES

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

Substructure search with this scaffold
Murcko scaffold O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)Nc1ccccc1

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 49 to 96 of 115 chemicals

2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenylacetamide chemical structure, C22H18N6O5S, CAS 847190-35-6
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-phenylacetamide
CAS 847190-35-6C22H18N6O5S
2-{[6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide chemical structure, C22H17FN6O5S, CAS 847190-36-7
2-{[6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CAS 847190-36-7C22H17FN6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide chemical structure, C22H17FN6O5S, CAS 847190-37-8
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide
CAS 847190-37-8C22H17FN6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-fluorophenyl)acetamide chemical structure, C22H17FN6O5S, CAS 847190-38-9
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-fluorophenyl)acetamide
CAS 847190-38-9C22H17FN6O5S
N-(2,4-Difluorophenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C22H16F2N6O5S, CAS 847190-39-0
N-(2,4-Difluorophenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 847190-39-0C22H16F2N6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-methoxyphenyl)acetamide chemical structure, C23H20N6O6S, CAS 847190-40-3
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-methoxyphenyl)acetamide
CAS 847190-40-3C23H20N6O6S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide chemical structure, C23H20N6O6S, CAS 847190-41-4
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide
CAS 847190-41-4C23H20N6O6S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-methoxyphenyl)acetamide chemical structure, C23H20N6O6S, CAS 847190-42-5
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-methoxyphenyl)acetamide
CAS 847190-42-5C23H20N6O6S
2-{[6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide chemical structure, C24H22N6O6S, CAS 847190-43-6
2-{[6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
CAS 847190-43-6C24H22N6O6S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide chemical structure, C24H22N6O6S, CAS 847190-44-7
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide
CAS 847190-44-7C24H22N6O6S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide chemical structure, C23H17F3N6O5S, CAS 847190-48-1
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
CAS 847190-48-1C23H17F3N6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide chemical structure, C23H17F3N6O5S, CAS 847190-49-2
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CAS 847190-49-2C23H17F3N6O5S
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide chemical structure, C23H17F3N6O5S, CAS 847190-50-5
2-((6,8-Dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide
CAS 847190-50-5C23H17F3N6O5S
N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H16ClF3N6O5S, CAS 847190-51-6
N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 847190-51-6C23H16ClF3N6O5S
N-(4-Acetylphenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H20N6O6S, CAS 847190-53-8
N-(4-Acetylphenyl)-2-((6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 847190-53-8C24H20N6O6S
2-((2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide chemical structure, C23H20ClN5O3S, CAS 888416-06-6
2-((2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
CAS 888416-06-6C23H20ClN5O3S
2-((2-(2-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide chemical structure, C23H20FN5O3S, CAS 888416-66-8
2-((2-(2-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
CAS 888416-66-8C23H20FN5O3S
N-(5-Chloro-2-methoxyphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C23H20ClN5O4S, CAS 896677-60-4
N-(5-Chloro-2-methoxyphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 896677-60-4C23H20ClN5O4S
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide chemical structure, C23H21N5O4S, CAS 906232-02-8
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide
CAS 906232-02-8C23H21N5O4S
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-ethoxyphenyl)acetamide chemical structure, C24H23N5O4S, CAS 906232-16-4
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-ethoxyphenyl)acetamide
CAS 906232-16-4C24H23N5O4S
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide chemical structure, C24H23N5O4S, CAS 906232-23-3
2-((6,8-Dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide
CAS 906232-23-3C24H23N5O4S
N-(3,4-Dimethoxyphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H23N5O5S, CAS 906232-44-8
N-(3,4-Dimethoxyphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 906232-44-8C24H23N5O5S
Ethyl 2-(2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzoate chemical structure, C25H23N5O5S, CAS 896677-62-6
Ethyl 2-(2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzoate
CAS 896677-62-6C25H23N5O5S
N-(4-Acetylphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C24H21N5O4S, CAS 863003-36-5
N-(4-Acetylphenyl)-2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 863003-36-5C24H21N5O4S