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Murcko scaffold

2-Thioxanthine scaffold

22 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
22
With full pages
5
Scaffold SMILES

O=c1[nH]c(=S)[nH]c2nc[nH]c12

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 scaffoldOpen the 2-Thioxanthine page
Murcko scaffold O=c1[nH]c(=S)[nH]c2nc[nH]c12

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 22 of 22 chemicals

2-Thio-8-methylthiotheophylline chemical structure, C8H10N4OS2, CAS 1784-69-6
2-Thio-8-methylthiotheophylline
CAS 1784-69-6C8H10N4OS2
8-(Ethylthio)-2-thiotheophylline chemical structure, C9H12N4OS2, CAS 4989-72-4
8-(Ethylthio)-2-thiotheophylline
CAS 4989-72-4C9H12N4OS2
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one chemical structure, C10H14N4OS2, CAS 4791-36-0
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one
CAS 4791-36-0C10H14N4OS2
8-(Butylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one chemical structure, C11H16N4OS2, CAS 4989-74-6
8-(Butylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one
CAS 4989-74-6C11H16N4OS2
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one chemical structure, C12H18N4OS2, CAS 4869-70-9
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one
CAS 4869-70-9C12H18N4OS2
8-(Hexylthio)-2-thio-theophylline chemical structure, C13H20N4OS2, CAS 4869-71-0
8-(Hexylthio)-2-thio-theophylline
CAS 4869-71-0C13H20N4OS2
8-(Heptylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one chemical structure, C14H22N4OS2, CAS 4776-10-7
8-(Heptylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one
CAS 4776-10-7C14H22N4OS2
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(octylthio)-2-thioxo-6H-purin-6-one chemical structure, C15H24N4OS2, CAS 4951-42-2
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(octylthio)-2-thioxo-6H-purin-6-one
CAS 4951-42-2C15H24N4OS2
1,3-Dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-1,2,3,9-tetrahydro-6H-purin-6-one chemical structure, C16H26N4OS2, CAS 4776-11-8
1,3-Dimethyl-8-(nonylsulfanyl)-2-sulfanylidene-1,2,3,9-tetrahydro-6H-purin-6-one
CAS 4776-11-8C16H26N4OS2
1,2,3,9-Tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-6H-purin-6-one chemical structure, C18H30N4OS2, CAS 6466-11-1
1,2,3,9-Tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-6H-purin-6-one
CAS 6466-11-1C18H30N4OS2
8-(Dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one chemical structure, C19H32N4OS2, CAS 6466-12-2
8-(Dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one
CAS 6466-12-2C19H32N4OS2
8-(Decylthio)-2-thiotheophylline chemical structure, C17H28N4OS2, CAS 6466-10-0
8-(Decylthio)-2-thiotheophylline
CAS 6466-10-0C17H28N4OS2
8-((2-Aminoethyl)thio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one chemical structure, C9H13N5OS2, CAS 6466-18-8
8-((2-Aminoethyl)thio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
CAS 6466-18-8C9H13N5OS2
2-Thioxanthine chemical structure, C5H4N4OS, CAS 2487-40-3
2-Thioxanthine
CAS 2487-40-3C5H4N4OS
Heteroxanthine, 2-thio- chemical structure, C6H6N4OS, CAS 5730-09-6
Heteroxanthine, 2-thio-
CAS 5730-09-6C6H6N4OS
3-Methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one chemical structure, C6H6N4OS, CAS 28139-02-8
3-Methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
CAS 28139-02-8C6H6N4OS
8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one chemical structure, C6H6N4OS, CAS 91184-09-7
8-Methyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one
CAS 91184-09-7C6H6N4OS
6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- chemical structure, C7H8N4OS, CAS 91725-06-3
6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-
CAS 91725-06-3C7H8N4OS
1,2,3,9-Tetrahydro-1-methyl-2-thioxo-6H-purin-6-one chemical structure, C6H6N4OS, CAS 91184-08-6
1,2,3,9-Tetrahydro-1-methyl-2-thioxo-6H-purin-6-one
CAS 91184-08-6C6H6N4OS
3-Isobutyl-2-thioxanthine chemical structure, C9H12N4OS, CAS 618913-16-9
3-Isobutyl-2-thioxanthine
CAS 618913-16-9C9H12N4OS
3-(2-Isopropoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one chemical structure, C10H14N4O2S, CAS 959862-19-2
3-(2-Isopropoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
CAS 959862-19-2C10H14N4O2S
2-Thio-6-hydroxypurine hydrate chemical structure, C5H6N4O2S, CAS 213696-55-0
2-Thio-6-hydroxypurine hydrate
CAS 213696-55-0C5H6N4O2S