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Murcko scaffold

Ring system with 4 rings and 28 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
12
With full pages
2
Scaffold SMILES

O=C(CSc1nc(-c2ccccc2)nc2[nH]c(=O)[nH]c(=O)c12)N1CCOCC1

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)N1CCOCC1

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 12 of 12 chemicals

7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H23N5O5S, CAS 852171-57-4
7-(4-Methoxyphenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852171-57-4C21H23N5O5S
1,3-Dimethyl-7-(2-methylphenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C21H23N5O4S, CAS 872629-24-8
1,3-Dimethyl-7-(2-methylphenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 872629-24-8C21H23N5O4S
1,3-Dimethyl-5-((2-morpholino-2-oxoethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H21N5O4S, CAS 906230-35-1
1,3-Dimethyl-5-((2-morpholino-2-oxoethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 906230-35-1C20H21N5O4S
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20FN5O4S, CAS 852169-71-2
7-(4-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852169-71-2C20H20FN5O4S
1,3-Dimethyl-5-((2-morpholino-2-oxoethyl)thio)-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20N6O6S, CAS 847190-30-1
1,3-Dimethyl-5-((2-morpholino-2-oxoethyl)thio)-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 847190-30-1C20H20N6O6S
7-(2-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20FN5O4S, CAS 872842-76-7
7-(2-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 872842-76-7C20H20FN5O4S
7-(3-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20FN5O4S, CAS 872848-46-9
7-(3-Fluorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 872848-46-9C20H20FN5O4S
7-(3-Methoxyphenyl)-1,3-dimethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C21H23N5O5S, CAS 872839-55-9
7-(3-Methoxyphenyl)-1,3-dimethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 872839-55-9C21H23N5O5S
7-(2-Chlorophenyl)-1,3-dimethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C20H20ClN5O4S, CAS 893906-25-7
7-(2-Chlorophenyl)-1,3-dimethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 893906-25-7C20H20ClN5O4S
7-(4-Chlorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20ClN5O4S, CAS 893915-33-8
7-(4-Chlorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893915-33-8C20H20ClN5O4S
7-(3-Chlorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20ClN5O4S, CAS 893921-78-3
7-(3-Chlorophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 893921-78-3C20H20ClN5O4S
7-(4-Bromophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H20BrN5O4S, CAS 921109-65-1
7-(4-Bromophenyl)-1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 921109-65-1C20H20BrN5O4S