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Murcko scaffold

Ring system with 4 rings and 26 atoms

54 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
54
With full pages
4
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(SCc3ccccc3)n2Cc2ccccc2)[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(nc(SCc3ccccc3)n2Cc2ccccc2)[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 48 of 54 chemicals

7-Benzyl-8-(benzylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H20N4O2S, CAS 70404-24-9
7-Benzyl-8-(benzylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 70404-24-9C21H20N4O2S
7-Benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H22N4O2S, CAS 372971-73-8
7-Benzyl-1,3-dimethyl-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 372971-73-8C22H22N4O2S
7-Benzyl-8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H19ClN4O2S, CAS 373619-64-8
7-Benzyl-8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 373619-64-8C21H19ClN4O2S
7-Benzyl-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19ClN4O2S, CAS 374606-28-7
7-Benzyl-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
CAS 374606-28-7C21H19ClN4O2S
7-[(2-Chlorophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H18Cl2N4O2S, CAS 374608-32-9
7-[(2-Chlorophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
CAS 374608-32-9C21H18Cl2N4O2S
8-Benzylsulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19ClN4O2S, CAS 374612-79-0
8-Benzylsulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 374612-79-0C21H19ClN4O2S
7-(4-Chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H16Cl2N4O2S, CAS 327168-21-8
7-(4-Chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 327168-21-8C20H16Cl2N4O2S
8-Benzylsulfanyl-7-(4-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C20H17ClN4O2S, CAS 313470-82-5
8-Benzylsulfanyl-7-(4-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 313470-82-5C20H17ClN4O2S
7-Benzyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C20H17ClN4O2S, CAS 331841-66-8
7-Benzyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 331841-66-8C20H17ClN4O2S
7-(2-Chlorobenzyl)-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H16Cl2N4O2S, CAS 331841-48-6
7-(2-Chlorobenzyl)-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 331841-48-6C20H16Cl2N4O2S
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione chemical structure, C22H21ClN4O2S, CAS 374550-43-3
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione
CAS 374550-43-3C22H21ClN4O2S
7-(2-Chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H17Cl2FN4O2S, CAS 377068-58-1
7-(2-Chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 377068-58-1C21H17Cl2FN4O2S
7-Benzyl-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H19FN4O2S, CAS 317326-04-8
7-Benzyl-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 317326-04-8C21H19FN4O2S
8-((4-Fluorobenzyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H19FN4O2S, CAS 442864-85-9
8-((4-Fluorobenzyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 442864-85-9C21H19FN4O2S
7-(2-Chlorobenzyl)-3-methyl-8-((3-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H19ClN4O2S, CAS 442864-91-7
7-(2-Chlorobenzyl)-3-methyl-8-((3-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 442864-91-7C21H19ClN4O2S
8-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H18ClFN4O2S, CAS 442865-13-6
8-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 442865-13-6C21H18ClFN4O2S
7-(4-Chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H17Cl2FN4O2S, CAS 441316-89-8
7-(4-Chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 441316-89-8C21H17Cl2FN4O2S
8-((2-Chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H20ClFN4O2S, CAS 369404-08-0
8-((2-Chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 369404-08-0C22H20ClFN4O2S
7-Benzyl-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H16ClFN4O2S, CAS 378204-58-1
7-Benzyl-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 378204-58-1C20H16ClFN4O2S
7-Benzyl-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H17FN4O2S, CAS 377053-91-3
7-Benzyl-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 377053-91-3C20H17FN4O2S
8-((4-Chlorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H21ClN4O2S, CAS 376624-88-3
8-((4-Chlorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 376624-88-3C22H21ClN4O2S
1,3-Dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H24N4O2S, CAS 378199-26-9
1,3-Dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 378199-26-9C23H24N4O2S
8-((4-Fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H21FN4O2S, CAS 371118-87-5
8-((4-Fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 371118-87-5C22H21FN4O2S
7-(4-Fluorobenzyl)-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H18F2N4O2S, CAS 505080-94-4
7-(4-Fluorobenzyl)-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 505080-94-4C21H18F2N4O2S