CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 29 atoms

41 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
41
With full pages
3
Scaffold SMILES

O=c1[nH]c2nc3n(c2c(=O)n1CCc1ccccc1)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)n1CCc1ccccc1)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 41 of 41 chemicals

9-(4-Methoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O3, CAS 844831-54-5
9-(4-Methoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844831-54-5C25H27N5O3
1-Methyl-9-phenyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione chemical structure, C23H23N5O2, CAS 846065-46-1
1-Methyl-9-phenyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CAS 846065-46-1C23H23N5O2
9-(4-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O3, CAS 847269-93-6
9-(4-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847269-93-6C24H25N5O3
9-(4-Ethoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O3, CAS 848688-23-3
9-(4-Ethoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848688-23-3C25H27N5O3
9-(4-Fluorophenyl)-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H22FN5O2, CAS 893953-98-5
9-(4-Fluorophenyl)-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 893953-98-5C23H22FN5O2
1-Methyl-3-phenethyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O2, CAS 844828-02-0
1-Methyl-3-phenethyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844828-02-0C24H25N5O2
1-Methyl-3-phenethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O2, CAS 848766-86-9
1-Methyl-3-phenethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848766-86-9C24H25N5O2
9-(4-Ethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O2, CAS 844655-56-7
9-(4-Ethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844655-56-7C25H27N5O2
9-(4-Chlorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione chemical structure, C23H22ClN5O2, CAS 850721-22-1
9-(4-Chlorophenyl)-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CAS 850721-22-1C23H22ClN5O2
9-(3-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O3, CAS 848754-76-7
9-(3-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848754-76-7C24H25N5O3
9-(4-Ethylphenyl)-1,7-dimethyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C26H29N5O2, CAS 847917-66-2
9-(4-Ethylphenyl)-1,7-dimethyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847917-66-2C26H29N5O2
9-(4-Ethoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C26H29N5O3, CAS 848733-18-6
9-(4-Ethoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848733-18-6C26H29N5O3
1,7-Dimethyl-3-phenethyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O2, CAS 846584-57-4
1,7-Dimethyl-3-phenethyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 846584-57-4C25H27N5O2
1,7-Dimethyl-3-phenethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O2, CAS 848221-04-5
1,7-Dimethyl-3-phenethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848221-04-5C25H27N5O2
9-(3,4-Dimethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O2, CAS 844859-97-8
9-(3,4-Dimethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844859-97-8C25H27N5O2
9-(3-Methoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O3, CAS 844828-57-5
9-(3-Methoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844828-57-5C25H27N5O3
1,7-Dimethyl-3-phenethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O2, CAS 847366-63-6
1,7-Dimethyl-3-phenethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 847366-63-6C24H25N5O2
9-(4-Fluorophenyl)-1,7-dimethyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H24FN5O2, CAS 893963-80-9
9-(4-Fluorophenyl)-1,7-dimethyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 893963-80-9C24H24FN5O2
9-(2-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H25N5O3, CAS 876899-75-1
9-(2-Methoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876899-75-1C24H25N5O3
9-(2,4-Dimethoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O4, CAS 877616-95-0
9-(2,4-Dimethoxyphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-95-0C25H27N5O4
9-(2,4-Dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C26H29N5O4, CAS 877617-85-1
9-(2,4-Dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877617-85-1C26H29N5O4
9-(4-Ethoxyphenyl)-7-hydroxy-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O4, CAS 848726-56-7
9-(4-Ethoxyphenyl)-7-hydroxy-1-methyl-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848726-56-7C25H27N5O4
9-(3,4-Dimethylphenyl)-1,7-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione chemical structure, C26H29N5O2, CAS 848674-64-6
9-(3,4-Dimethylphenyl)-1,7-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CAS 848674-64-6C26H29N5O2
9-(3,5-Dimethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C25H27N5O2, CAS 845664-35-9
9-(3,5-Dimethylphenyl)-1-methyl-3-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 845664-35-9C25H27N5O2