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Murcko scaffold

Ring system with 4 rings and 29 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
10
With full pages
2
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.

Substructure search with this scaffold
Murcko scaffold O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)NCc1ccco1

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 10 of 10 chemicals

2-((6,8-Dimethyl-5,7-dioxo-2-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C22H21N5O4S, CAS 872629-30-6
2-((6,8-Dimethyl-5,7-dioxo-2-(o-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 872629-30-6C22H21N5O4S
2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C22H21N5O4S, CAS 872688-24-9
2-((6,8-Dimethyl-5,7-dioxo-2-(m-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 872688-24-9C22H21N5O4S
2-((6,8-Dimethyl-5,7-dioxo-2-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C22H21N5O4S, CAS 872688-37-4
2-((6,8-Dimethyl-5,7-dioxo-2-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 872688-37-4C22H21N5O4S
2-{[2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]thio}-N-(2-furylmethyl)acetamide chemical structure, C21H18ClN5O4S, CAS 872695-74-4
2-{[2-(2-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]thio}-N-(2-furylmethyl)acetamide
CAS 872695-74-4C21H18ClN5O4S
N-[(Furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide chemical structure, C22H21N5O5S, CAS 872839-59-3
N-[(Furan-2-yl)methyl]-2-{[2-(3-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
CAS 872839-59-3C22H21N5O5S
2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C21H18FN5O4S, CAS 872854-49-4
2-((2-(3-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 872854-49-4C21H18FN5O4S
2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C21H18ClN5O4S, CAS 893916-45-5
2-((2-(4-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 893916-45-5C21H18ClN5O4S
2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C21H18ClN5O4S, CAS 893923-24-5
2-((2-(3-Chlorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 893923-24-5C21H18ClN5O4S
N-(Furan-2-ylmethyl)-2-((2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C22H21N5O5S, CAS 872838-34-1
N-(Furan-2-ylmethyl)-2-((2-(2-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 872838-34-1C22H21N5O5S
2-((2-(3,5-Dimethylphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide chemical structure, C23H23N5O4S, CAS 893928-29-5
2-((2-(3,5-Dimethylphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide
CAS 893928-29-5C23H23N5O4S