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Murcko scaffold

Ring system with 3 rings and 22 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
13
With full pages
3
Scaffold SMILES

O=C(CSc1ncnc2[nH]c(=O)[nH]c(=O)c12)c1ccccc1

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(CSc1ncnc2[nH]c(=O)[nH]c(=O)c12)c1ccccc1

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 13 of 13 chemicals

5-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C17H15ClN4O3S, CAS 852169-08-5
5-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CAS 852169-08-5C17H15ClN4O3S
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C20H22N4O4S, CAS 852171-46-1
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852171-46-1C20H22N4O4S
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C18H18N4O4S, CAS 852169-10-9
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852169-10-9C18H18N4O4S
7-Ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C18H18N4O3S, CAS 852170-67-3
7-Ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852170-67-3C18H18N4O3S
7-Ethyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C19H20N4O4S, CAS 852170-69-5
7-Ethyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852170-69-5C19H20N4O4S
1,3-Dimethyl-5-phenacylsulfanyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C19H20N4O3S, CAS 863002-55-5
1,3-Dimethyl-5-phenacylsulfanyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
CAS 863002-55-5C19H20N4O3S
5-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C19H19ClN4O3S, CAS 852171-44-9
5-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 852171-44-9C19H19ClN4O3S
7-Isopropyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C19H20N4O3S, CAS 863002-82-8
7-Isopropyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 863002-82-8C19H20N4O3S
1,3-Dimethyl-7-(2-methylpropyl)-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C20H22N4O3S, CAS 872608-22-5
1,3-Dimethyl-7-(2-methylpropyl)-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CAS 872608-22-5C20H22N4O3S
7-Butyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H24N4O4S, CAS 872612-44-7
7-Butyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 872612-44-7C21H24N4O4S
5-[[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl]-3-methyl-7-(2-methylpropyl)-1-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione chemical structure, C22H25ClN4O3S, CAS 930926-96-8
5-[[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl]-3-methyl-7-(2-methylpropyl)-1-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS 930926-96-8C22H25ClN4O3S
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-neopentylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C22H26N4O4S, CAS 863002-89-5
5-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-7-neopentylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 863002-89-5C22H26N4O4S
7-Isobutyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C21H24N4O4S, CAS 872608-23-6
7-Isobutyl-5-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 872608-23-6C21H24N4O4S