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Murcko scaffold

Ring system with 3 rings and 22 atoms

80 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
80
With full pages
10
Scaffold SMILES

O=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)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(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)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 80 chemicals

2-{[1,3-Dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C19H21N5O3S, CAS 372506-22-4
2-{[1,3-Dimethyl-7-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 372506-22-4C19H21N5O3S
2-((7-Isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C19H23N5O3S, CAS 313530-87-9
2-((7-Isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 313530-87-9C19H23N5O3S
2-((3-Methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C18H19N5O3S, CAS 332098-94-9
2-((3-Methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 332098-94-9C18H19N5O3S
N-(2-Ethyl-6-methylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide chemical structure, C19H23N5O3S, CAS 309267-71-8
N-(2-Ethyl-6-methylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
CAS 309267-71-8C19H23N5O3S
2-((7-Ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C17H19N5O3S, CAS 445413-55-8
2-((7-Ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 445413-55-8C17H19N5O3S
2-(3-Methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide chemical structure, C17H17N5O3S, CAS 330990-69-7
2-(3-Methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide
CAS 330990-69-7C17H17N5O3S
2-{[1,3-Dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C18H19N5O3S, CAS 378203-21-5
2-{[1,3-Dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 378203-21-5C18H19N5O3S
2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide chemical structure, C17H19N5O4S, CAS 443678-08-8
2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CAS 443678-08-8C17H19N5O4S
N-(4-Ethylphenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide chemical structure, C18H21N5O3S, CAS 341951-99-3
N-(4-Ethylphenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CAS 341951-99-3C18H21N5O3S
2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide chemical structure, C18H21N5O3S, CAS 326004-37-9
2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide
CAS 326004-37-9C18H21N5O3S
Methyl 4-[[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetyl]amino]benzoate chemical structure, C17H17N5O5S, CAS 380340-64-7
Methyl 4-[[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetyl]amino]benzoate
CAS 380340-64-7C17H17N5O5S
N-(2-Nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide chemical structure, C16H16N6O5S, CAS 341952-01-0
N-(2-Nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CAS 341952-01-0C16H16N6O5S
2-(7-Butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-ethylphenyl)acetamide chemical structure, C21H27N5O3S, CAS 713501-86-1
2-(7-Butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CAS 713501-86-1C21H27N5O3S
2-((3-Methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C19H23N5O3S, CAS 301354-10-9
2-((3-Methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 301354-10-9C19H23N5O3S
2-[(3-Methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide chemical structure, C22H29N5O3S, CAS 301354-15-4
2-[(3-Methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
CAS 301354-15-4C22H29N5O3S
2-[(7-Hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide chemical structure, C30H45N5O3S, CAS 369603-84-9
2-[(7-Hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
CAS 369603-84-9C30H45N5O3S
2-{[7-(2-Methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C17H19N5O4S, CAS 333769-05-4
2-{[7-(2-Methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 333769-05-4C17H19N5O4S
2-((7-Hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C20H25N5O3S, CAS 303972-86-3
2-((7-Hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 303972-86-3C20H25N5O3S
2-[(7-Hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide chemical structure, C21H27N5O3S, CAS 377060-19-0
2-[(7-Hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
CAS 377060-19-0C21H27N5O3S
2-((7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl)-N-phenylacetamide chemical structure, C18H21N5O4S, CAS 476481-80-8
2-((7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl)-N-phenylacetamide
CAS 476481-80-8C18H21N5O4S
2-((1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)-N-(2-fluorophenyl)acetamide chemical structure, C15H14FN5O3S, CAS 443644-59-5
2-((1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)-N-(2-fluorophenyl)acetamide
CAS 443644-59-5C15H14FN5O3S
N-(2,4-Dichlorophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide chemical structure, C15H13Cl2N5O3S, CAS 443894-40-4
N-(2,4-Dichlorophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetamide
CAS 443894-40-4C15H13Cl2N5O3S
(E)-2-((7-(But-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C18H19N5O3S, CAS 305866-72-2
(E)-2-((7-(But-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 305866-72-2C18H19N5O3S
N-(2-Methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide chemical structure, C17H19N5O3S, CAS 886904-19-4
N-(2-Methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CAS 886904-19-4C17H19N5O3S