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Murcko scaffold

Ring system with 3 rings and 23 atoms

103 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
103
With full pages
10
Scaffold SMILES

O=C(CSc1ncnc2[nH]c(=O)[nH]c(=O)c12)Nc1ccccc1

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)Nc1ccccc1

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 103 chemicals

N-[4-(Trifluoromethyl)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C18H16F3N5O3S, CAS 852168-30-0
N-[4-(Trifluoromethyl)phenyl]-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-30-0C18H16F3N5O3S
N-(2-(Trifluoromethyl)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H16F3N5O3S, CAS 852168-28-6
N-(2-(Trifluoromethyl)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-28-6C18H16F3N5O3S
N-(2-Ethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C19H21N5O4S, CAS 852168-22-0
N-(2-Ethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-22-0C19H21N5O4S
N-(4-Bromophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C17H16BrN5O3S, CAS 852168-14-0
N-(4-Bromophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-14-0C17H16BrN5O3S
N-(2-Fluorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C17H16FN5O3S, CAS 852168-09-3
N-(2-Fluorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-09-3C17H16FN5O3S
N-(3,4-Dichlorophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C17H15Cl2N5O3S, CAS 852168-16-2
N-(3,4-Dichlorophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-16-2C17H15Cl2N5O3S
N-(4-Nitrophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C17H16N6O5S, CAS 852168-33-3
N-(4-Nitrophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-33-3C17H16N6O5S
N-(2,5-Dimethoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C19H21N5O5S, CAS 852168-25-3
N-(2,5-Dimethoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-25-3C19H21N5O5S
N-(3,5-Dimethylphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C19H21N5O3S, CAS 852168-05-9
N-(3,5-Dimethylphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-05-9C19H21N5O3S
N-(m-Tolyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H19N5O3S, CAS 852168-00-4
N-(m-Tolyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-00-4C18H19N5O3S
N-(3-(Trifluoromethyl)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H16F3N5O3S, CAS 852168-29-7
N-(3-(Trifluoromethyl)phenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-29-7C18H16F3N5O3S
N-(4-Ethylphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C19H21N5O3S, CAS 852168-07-1
N-(4-Ethylphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-07-1C19H21N5O3S
2-(1,3,7-Trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide chemical structure, C20H23N5O3S, CAS 852168-06-0
2-(1,3,7-Trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CAS 852168-06-0C20H23N5O3S
N-(5-Chloro-2-methoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C18H18ClN5O4S, CAS 852168-18-4
N-(5-Chloro-2-methoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-18-4C18H18ClN5O4S
N-(4-Butylphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C21H25N5O3S, CAS 852168-08-2
N-(4-Butylphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-08-2C21H25N5O3S
Ethyl 4-[[2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate chemical structure, C20H21N5O5S, CAS 852168-34-4
Ethyl 4-[[2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate
CAS 852168-34-4C20H21N5O5S
N-(3-Methoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H19N5O4S, CAS 852168-20-8
N-(3-Methoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-20-8C18H19N5O4S
N-(4-Ethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C19H21N5O4S, CAS 852168-23-1
N-(4-Ethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-23-1C19H21N5O4S
N-(p-Tolyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H19N5O3S, CAS 852168-01-5
N-(p-Tolyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-01-5C18H19N5O3S
N-(2,4-Dimethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C19H21N5O5S, CAS 852168-24-2
N-(2,4-Dimethoxyphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-24-2C19H21N5O5S
N-(4-Chlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C17H16ClN5O3S, CAS 852168-13-9
N-(4-Chlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-13-9C17H16ClN5O3S
N-(2-Methoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C18H19N5O4S, CAS 852168-19-5
N-(2-Methoxyphenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852168-19-5C18H19N5O4S
N-(2,5-Dimethylphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide chemical structure, C19H21N5O3S, CAS 852168-03-7
N-(2,5-Dimethylphenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CAS 852168-03-7C19H21N5O3S
N-Phenyl-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide chemical structure, C17H17N5O3S, CAS 852167-97-6
N-Phenyl-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
CAS 852167-97-6C17H17N5O3S