CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 19 atoms

139 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
139
With full pages
38
Scaffold SMILES

O=c1[nH]c(=O)c2nc(SCc3ccccc3)[nH]c2[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)c2nc(SCc3ccccc3)[nH]c2[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 139 chemicals

8-Benzylsulfanyl-1,3,9-trimethylpurine-2,6-dione chemical structure, C15H16N4O2S, CAS 6315-62-4
8-Benzylsulfanyl-1,3,9-trimethylpurine-2,6-dione
CAS 6315-62-4C15H16N4O2S
8-Benzylsulfanyl-1,3,7-trimethylpurine-2,6-dione chemical structure, C15H16N4O2S, CAS 24851-28-3
8-Benzylsulfanyl-1,3,7-trimethylpurine-2,6-dione
CAS 24851-28-3C15H16N4O2S
8-(Benzylthio)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H18N4O2S, CAS 189149-65-3
8-(Benzylthio)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
CAS 189149-65-3C16H18N4O2S
8-(4-Chloro-benzylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H17ClN4O2S, CAS 326919-15-7
8-(4-Chloro-benzylsulfanyl)-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 326919-15-7C16H17ClN4O2S
8-((2-Chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H17ClN4O3S, CAS 313470-49-4
8-((2-Chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 313470-49-4C16H17ClN4O3S
7-Allyl-8-(4-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H15ClN4O2S, CAS 331841-69-1
7-Allyl-8-(4-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 331841-69-1C16H15ClN4O2S
8-(4-Chloro-benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H17ClN4O2S, CAS 331751-81-6
8-(4-Chloro-benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-purine-2,6-dione
CAS 331751-81-6C16H17ClN4O2S
8-[(4-Chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C18H21ClN4O2S, CAS 331841-64-6
8-[(4-Chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CAS 331841-64-6C18H21ClN4O2S
8-((2-Chloro-6-fluorobenzyl)thio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H18ClFN4O3S, CAS 442865-11-4
8-((2-Chloro-6-fluorobenzyl)thio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442865-11-4C17H18ClFN4O3S
8-((2-Chloro-6-fluorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H16ClFN4O3S, CAS 442864-59-7
8-((2-Chloro-6-fluorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-59-7C16H16ClFN4O3S
2-(8-(Benzylthio)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide chemical structure, C15H15N5O3S, CAS 303969-51-9
2-(8-(Benzylthio)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
CAS 303969-51-9C15H15N5O3S
8-(Benzylsulfanyl)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H16N4O2S, CAS 303970-02-7
8-(Benzylsulfanyl)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 303970-02-7C15H16N4O2S
3-Methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20N4O2S, CAS 303969-63-3
3-Methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
CAS 303969-63-3C17H20N4O2S
7-Allyl-3-methyl-8-((3-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H18N4O2S, CAS 442865-21-6
7-Allyl-3-methyl-8-((3-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 442865-21-6C17H18N4O2S
7-Allyl-3-methyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H18N4O2S, CAS 378204-13-8
7-Allyl-3-methyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
CAS 378204-13-8C17H18N4O2S
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione chemical structure, C16H15FN4O2S, CAS 378200-42-1
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione
CAS 378200-42-1C16H15FN4O2S
8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione chemical structure, C15H15FN4O2S, CAS 460725-53-5
8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
CAS 460725-53-5C15H15FN4O2S
8-Benzylsulfanyl-3,7-dimethylpurine-2,6-dione chemical structure, C14H14N4O2S, CAS 316362-30-8
8-Benzylsulfanyl-3,7-dimethylpurine-2,6-dione
CAS 316362-30-8C14H14N4O2S
8-Benzylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione chemical structure, C17H18N4O2S, CAS 332098-68-7
8-Benzylsulfanyl-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
CAS 332098-68-7C17H18N4O2S
7-Allyl-8-(benzylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H16N4O2S, CAS 330990-68-6
7-Allyl-8-(benzylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 330990-68-6C16H16N4O2S
8-[(2-Methoxyphenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione chemical structure, C16H18N4O3S, CAS 692267-93-9
8-[(2-Methoxyphenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
CAS 692267-93-9C16H18N4O3S
3-Methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C18H20N4O2S, CAS 332897-86-6
3-Methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 332897-86-6C18H20N4O2S
1,3-Dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C19H22N4O2S, CAS 375363-52-3
1,3-Dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 375363-52-3C19H22N4O2S
8-[(4-Chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C18H19ClN4O2S, CAS 332905-17-6
8-[(4-Chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 332905-17-6C18H19ClN4O2S