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Murcko scaffold

Ring system with 4 rings and 23 atoms

39 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
39
With full pages
24
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc3n2CCCN3CCc2ccccc2)[nH]1

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]c(=O)c2c(nc3n2CCCN3CCc2ccccc2)[nH]1

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 39 of 39 chemicals

1-Methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone chemical structure, C17H19N5O2, CAS 714234-88-5
1-Methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone
CAS 714234-88-5C17H19N5O2
3-Ethyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C19H23N5O2, CAS 849920-54-3
3-Ethyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 849920-54-3C19H23N5O2
3-Isobutyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H27N5O2, CAS 850192-25-5
3-Isobutyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 850192-25-5C21H27N5O2
1,7-Dimethyl-9-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1, 2-h]purine-2,4-dione chemical structure, C18H21N5O2, CAS 714241-66-4
1,7-Dimethyl-9-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1, 2-h]purine-2,4-dione
CAS 714241-66-4C18H21N5O2
3-Ethyl-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O2, CAS 896065-97-7
3-Ethyl-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 896065-97-7C20H25N5O2
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C19H23N5O4, CAS 838895-11-7
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 838895-11-7C19H23N5O4
3-(2-Ethoxyethyl)-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H27N5O3, CAS 876151-16-5
3-(2-Ethoxyethyl)-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876151-16-5C21H27N5O3
3-Allyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H23N5O2, CAS 876151-17-6
3-Allyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876151-17-6C20H23N5O2
1-Methyl-3-(2-methylallyl)-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H25N5O2, CAS 876151-18-7
1-Methyl-3-(2-methylallyl)-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876151-18-7C21H25N5O2
1,7-Dimethyl-3-(2-methylallyl)-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H27N5O2, CAS 876899-39-7
1,7-Dimethyl-3-(2-methylallyl)-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876899-39-7C22H27N5O2
3-Butyl-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H27N5O2, CAS 877795-02-3
3-Butyl-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877795-02-3C21H27N5O2
1-Methyl-9-phenethyl-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O2, CAS 862246-34-2
1-Methyl-9-phenethyl-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 862246-34-2C20H25N5O2
Methyl 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate chemical structure, C21H25N5O4, CAS 877808-14-5
Methyl 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
CAS 877808-14-5C21H25N5O4
2-(1-Methyl-2,4-dioxo-9-phenethyl-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide chemical structure, C19H22N6O3, CAS 877804-13-2
2-(1-Methyl-2,4-dioxo-9-phenethyl-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide
CAS 877804-13-2C19H22N6O3
Ethyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate chemical structure, C21H25N5O4, CAS 877803-29-7
Ethyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
CAS 877803-29-7C21H25N5O4
3-(2-Methoxyethyl)-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O3, CAS 849919-19-3
3-(2-Methoxyethyl)-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 849919-19-3C20H25N5O3
1-Methyl-3-pentyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H29N5O2, CAS 877779-73-2
1-Methyl-3-pentyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877779-73-2C22H29N5O2
3-Isopentyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H29N5O2, CAS 862489-40-5
3-Isopentyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 862489-40-5C22H29N5O2
Methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate chemical structure, C22H27N5O6, CAS 893958-91-3
Methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CAS 893958-91-3C22H27N5O6
9-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H29N5O5, CAS 872628-33-6
9-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 872628-33-6C22H29N5O5
2-[9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide chemical structure, C21H26N6O5, CAS 872628-34-7
2-[9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
CAS 872628-34-7C21H26N6O5
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione chemical structure, C20H25N5O4, CAS 872628-31-4
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CAS 872628-31-4C20H25N5O4
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C24H33N5O4, CAS 893958-24-2
9-[2-(3,4-Dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 893958-24-2C24H33N5O4
2-(2,4-Diketo-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid methyl ester chemical structure, C20H23N5O4, CAS 850901-20-1
2-(2,4-Diketo-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid methyl ester
CAS 850901-20-1C20H23N5O4