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Murcko scaffold

Ring system with 5 rings and 28 atoms

406 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
406
With full pages
8
Scaffold SMILES

O=c1[nH]c2nc3n(c2c(=O)n1Cc1ccccc1)CCCN3c1ccccc1

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=c1[nH]c2nc3n(c2c(=O)n1Cc1ccccc1)CCCN3c1ccccc1

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 48 of 406 chemicals

3-(2-Fluorobenzyl)-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H22FN5O3, CAS 847377-35-9
3-(2-Fluorobenzyl)-9-(4-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847377-35-9C23H22FN5O3
9-(2,4-Dimethoxyphenyl)-3-(4-fluorobenzyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H24FN5O4, CAS 872628-26-7
9-(2,4-Dimethoxyphenyl)-3-(4-fluorobenzyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 872628-26-7C24H24FN5O4
9-(2,4-Dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H26FN5O4, CAS 872628-38-1
9-(2,4-Dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 872628-38-1C25H26FN5O4
9-(2,4-Dimethoxyphenyl)-3-(2-fluorobenzyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H24FN5O4, CAS 872628-25-6
9-(2,4-Dimethoxyphenyl)-3-(2-fluorobenzyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 872628-25-6C24H24FN5O4
9-(2,4-Dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H26FN5O4, CAS 872628-37-0
9-(2,4-Dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 872628-37-0C25H26FN5O4
3-Benzyl-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H21N5O2, CAS 332400-79-0
3-Benzyl-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 332400-79-0C22H21N5O2
3-Benzyl-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H23N5O3, CAS 876899-66-0
3-Benzyl-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876899-66-0C23H23N5O3
3-Benzyl-9-(2,4-dimethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O4, CAS 876900-51-5
3-Benzyl-9-(2,4-dimethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876900-51-5C24H25N5O4
3-(2-Fluorobenzyl)-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H22FN5O3, CAS 872628-22-3
3-(2-Fluorobenzyl)-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 872628-22-3C23H22FN5O3
3-(4-Fluorobenzyl)-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H22FN5O3, CAS 872628-23-4
3-(4-Fluorobenzyl)-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 872628-23-4C23H22FN5O3
3-[(3,4-Dichlorophenyl)methyl]-9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C24H23Cl2N5O3, CAS 862185-79-3
3-[(3,4-Dichlorophenyl)methyl]-9-(4-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 862185-79-3C24H23Cl2N5O3
9-(4-Methoxyphenyl)-1,7-dimethyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O3, CAS 847367-26-4
9-(4-Methoxyphenyl)-1,7-dimethyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847367-26-4C25H27N5O3
3-Benzyl-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C24H25N5O2, CAS 844837-00-9
3-Benzyl-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844837-00-9C24H25N5O2
3-[(3,4-Dichlorophenyl)methyl]-9-(4-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H25Cl2N5O2, CAS 861147-51-5
3-[(3,4-Dichlorophenyl)methyl]-9-(4-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 861147-51-5C25H25Cl2N5O2
3-Benzyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H23N5O2, CAS 844654-99-5
3-Benzyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844654-99-5C23H23N5O2
3-[(2,4-Dichlorophenyl)methyl]-9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H25Cl2N5O2, CAS 844823-67-2
3-[(2,4-Dichlorophenyl)methyl]-9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844823-67-2C25H25Cl2N5O2
3-[(2,4-Dichlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H21Cl2N5O3, CAS 848752-03-4
3-[(2,4-Dichlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848752-03-4C23H21Cl2N5O3
3-[(2-Chlorophenyl)methyl]-9-(4-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H26ClN5O2, CAS 845985-81-1
3-[(2-Chlorophenyl)methyl]-9-(4-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 845985-81-1C25H26ClN5O2
9-(4-Ethoxyphenyl)-1-methyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H27N5O3, CAS 844655-92-1
9-(4-Ethoxyphenyl)-1-methyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 844655-92-1C25H27N5O3
3-[(3-Chlorophenyl)methyl]-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C25H26ClN5O3, CAS 848684-10-6
3-[(3-Chlorophenyl)methyl]-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848684-10-6C25H26ClN5O3
3-Benzyl-9-(4-bromophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H22BrN5O2, CAS 862488-12-8
3-Benzyl-9-(4-bromophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 862488-12-8C23H22BrN5O2
3-(4-Chlorobenzyl)-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H20ClN5O2, CAS 848763-88-2
3-(4-Chlorobenzyl)-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848763-88-2C22H20ClN5O2
3-[(3,4-Dichlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H21Cl2N5O3, CAS 848986-25-4
3-[(3,4-Dichlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848986-25-4C23H21Cl2N5O3
3-[(2-Fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H22FN5O2, CAS 848278-74-0
3-[(2-Fluorophenyl)methyl]-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848278-74-0C23H22FN5O2