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Murcko scaffold

Ring system with 3 rings and 20 atoms

39 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
39
With full pages
7
Scaffold SMILES

O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)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(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)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 39 of 39 chemicals

8-Bromo-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H12BrN5O5, CAS 88594-38-1
8-Bromo-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 88594-38-1C15H12BrN5O5
8-Bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C15H13BrN4O3, CAS 19977-29-8
8-Bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 19977-29-8C15H13BrN4O3
8-(Dimethylamino)-1,3-dimethyl-7-phenacylpurine-2,6-dione chemical structure, C17H19N5O3, CAS 309289-93-8
8-(Dimethylamino)-1,3-dimethyl-7-phenacylpurine-2,6-dione
CAS 309289-93-8C17H19N5O3
8-Chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H13ClN4O3, CAS 109407-25-2
8-Chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 109407-25-2C15H13ClN4O3
8-(Dimethylamino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H17N5O3, CAS 714284-78-3
8-(Dimethylamino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
CAS 714284-78-3C16H17N5O3
8-Chloro-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H17ClN4O3, CAS 326014-93-1
8-Chloro-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 326014-93-1C17H17ClN4O3
8-(Dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H21N5O4, CAS 361158-09-0
8-(Dimethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 361158-09-0C18H21N5O4
8-Bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C14H11BrN4O3, CAS 101072-04-2
8-Bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
CAS 101072-04-2C14H11BrN4O3
8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H10Br2N4O3, CAS 107569-36-8
8-Bromo-7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 107569-36-8C14H10Br2N4O3
8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C15H12Br2N4O3, CAS 19977-30-1
8-BR-7-(2-(4-BR-Phenyl)-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 19977-30-1C15H12Br2N4O3
8-[Bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H25N5O6, CAS 442630-30-0
8-[Bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CAS 442630-30-0C20H25N5O6
8-Bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H10BrClN4O3, CAS 105798-29-6
8-Bromo-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 105798-29-6C14H10BrClN4O3
8-Bromo-7-(2-(4-chlorophenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H12BrClN4O3, CAS 132373-42-3
8-Bromo-7-(2-(4-chlorophenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 132373-42-3C15H12BrClN4O3
8-Bromo-7-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H15BrN4O4, CAS 57445-11-1
8-Bromo-7-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 57445-11-1C16H15BrN4O4
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)- chemical structure, C17H17BrN4O3, CAS 96885-28-8
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-
CAS 96885-28-8C17H17BrN4O3
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- chemical structure, C14H11BrN4O5, CAS 101072-13-3
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-
CAS 101072-13-3C14H11BrN4O5
8-((3-Hydroxypropyl)amino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H19N5O4, CAS 716341-95-6
8-((3-Hydroxypropyl)amino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
CAS 716341-95-6C17H19N5O4
8-Chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H15ClN4O3, CAS 321981-03-7
8-Chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 321981-03-7C16H15ClN4O3
8-Bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione chemical structure, C15H13BrN4O4, CAS 101072-08-6
8-Bromo-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione
CAS 101072-08-6C15H13BrN4O4
8-(Diethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H25N5O4, CAS 377061-18-2
8-(Diethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CAS 377061-18-2C20H25N5O4
8-Bromo-3-methyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione chemical structure, C14H10BrN5O5, CAS 313262-60-1
8-Bromo-3-methyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione
CAS 313262-60-1C14H10BrN5O5
1H-Purine-2,6-dione, 8-bromo-7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl- chemical structure, C15H11BrCl2N4O3, CAS 847850-03-7
1H-Purine-2,6-dione, 8-bromo-7-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-
CAS 847850-03-7C15H11BrCl2N4O3
8-Chloro-7-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C15H12Cl2N4O3, CAS 321981-01-5
8-Chloro-7-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CAS 321981-01-5C15H12Cl2N4O3
8-((3-Methoxypropyl)amino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21N5O4, CAS 876893-03-7
8-((3-Methoxypropyl)amino)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
CAS 876893-03-7C18H21N5O4