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Murcko scaffold

Ring system with 4 rings and 29 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
10
With full pages
3
Scaffold SMILES

O=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2n1Cc1ccccc1)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)c2n1Cc1ccccc1)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 10 of 10 chemicals

2-[(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide chemical structure, C22H21N5O3S, CAS 372979-55-0
2-[(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
CAS 372979-55-0C22H21N5O3S
2-{[7-(2-Chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C22H20ClN5O3S, CAS 374544-77-1
2-{[7-(2-Chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 374544-77-1C22H20ClN5O3S
2-((7-(2-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C21H18ClN5O3S, CAS 313470-36-9
2-((7-(2-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 313470-36-9C21H18ClN5O3S
2-{[1,3-Dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C23H23N5O3S, CAS 377056-81-0
2-{[1,3-Dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 377056-81-0C23H23N5O3S
2-((3-Methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C22H21N5O3S, CAS 303973-55-9
2-((3-Methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 303973-55-9C22H21N5O3S
Methyl 2-((2-((7-((2-chlorophenyl)methyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)acetyl)amino)benzoate chemical structure, C24H22ClN5O5S, CAS 704875-02-5
Methyl 2-((2-((7-((2-chlorophenyl)methyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)acetyl)amino)benzoate
CAS 704875-02-5C24H22ClN5O5S
2-{[7-(3-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide chemical structure, C21H18ClN5O3S, CAS 124192-79-6
2-{[7-(3-Chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
CAS 124192-79-6C21H18ClN5O3S
2-[7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(4-fluorophenyl)acetamide chemical structure, C22H19ClFN5O3S, CAS 511238-16-7
2-[7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CAS 511238-16-7C22H19ClFN5O3S
2-(7-Benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide chemical structure, C21H19N5O3S, CAS 301354-29-0
2-(7-Benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide
CAS 301354-29-0C21H19N5O3S
2-((3-Methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide chemical structure, C22H21N5O3S, CAS 1040668-56-1
2-((3-Methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
CAS 1040668-56-1C22H21N5O3S