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Murcko scaffold

6-Thioxanthine scaffold

43 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
43
With full pages
10
Scaffold SMILES

O=c1[nH]c(=S)c2[nH]cnc2[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 scaffoldOpen the 6-Thioxanthine page
Murcko scaffold O=c1[nH]c(=S)c2[nH]cnc2[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 43 of 43 chemicals

1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one chemical structure, C8H10N4OS, CAS 13182-58-6
1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one
CAS 13182-58-6C8H10N4OS
7-Ethyl-3-methyl-6-thioxo-6,7-dihydro-1H-purin-2(3H)-one chemical structure, C8H10N4OS, CAS 380640-15-3
7-Ethyl-3-methyl-6-thioxo-6,7-dihydro-1H-purin-2(3H)-one
CAS 380640-15-3C8H10N4OS
6-Thioxanthine chemical structure, C5H4N4OS, CAS 2002-59-7
6-Thioxanthine
CAS 2002-59-7C5H4N4OS
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one chemical structure, C8H10N4OS2, CAS 4791-34-8
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one
CAS 4791-34-8C8H10N4OS2
Theophylline, 8-ethylthio-6-thio- chemical structure, C9H12N4OS2, CAS 4791-35-9
Theophylline, 8-ethylthio-6-thio-
CAS 4791-35-9C9H12N4OS2
Theophylline, 8-allylthio-6-thio- chemical structure, C10H12N4OS2, CAS 6493-39-6
Theophylline, 8-allylthio-6-thio-
CAS 6493-39-6C10H12N4OS2
Theophylline, 8-propylthio-6-thio- chemical structure, C10H14N4OS2, CAS 6493-28-3
Theophylline, 8-propylthio-6-thio-
CAS 6493-28-3C10H14N4OS2
8-Butylthio-6-thiotheophylline chemical structure, C11H16N4OS2, CAS 6493-29-4
8-Butylthio-6-thiotheophylline
CAS 6493-29-4C11H16N4OS2
1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-methylpropyl)thio)-6-thioxo-2H-purin-2-one chemical structure, C11H16N4OS2, CAS 6493-41-0
1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-methylpropyl)thio)-6-thioxo-2H-purin-2-one
CAS 6493-41-0C11H16N4OS2
Theophylline, 8-(sec-butylthio)-6-thio- chemical structure, C11H16N4OS2, CAS 6493-40-9
Theophylline, 8-(sec-butylthio)-6-thio-
CAS 6493-40-9C11H16N4OS2
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-6-thioxo-2H-purin-2-one chemical structure, C12H18N4OS2, CAS 4791-37-1
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-6-thioxo-2H-purin-2-one
CAS 4791-37-1C12H18N4OS2
8-Hexylthio-6-thiotheophylline chemical structure, C13H20N4OS2, CAS 4791-38-2
8-Hexylthio-6-thiotheophylline
CAS 4791-38-2C13H20N4OS2
8-Heptylthio-6-thiotheophylline chemical structure, C14H22N4OS2, CAS 4791-39-3
8-Heptylthio-6-thiotheophylline
CAS 4791-39-3C14H22N4OS2
8-Octylthio-6-thiotheophylline chemical structure, C15H24N4OS2, CAS 4791-40-6
8-Octylthio-6-thiotheophylline
CAS 4791-40-6C15H24N4OS2
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one chemical structure, C16H26N4OS2, CAS 4791-41-7
1,3,6,9-Tetrahydro-1,3-dimethyl-8-(nonylthio)-6-thioxo-2H-purin-2-one
CAS 4791-41-7C16H26N4OS2
6-Thio-8-(undecylthio)-theophylline chemical structure, C18H30N4OS2, CAS 6493-36-3
6-Thio-8-(undecylthio)-theophylline
CAS 6493-36-3C18H30N4OS2
8-(Dodecylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one chemical structure, C19H32N4OS2, CAS 6493-37-4
8-(Dodecylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
CAS 6493-37-4C19H32N4OS2
8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one chemical structure, C9H13N5OS2, CAS 6559-88-2
8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
CAS 6559-88-2C9H13N5OS2
1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-oxopropyl)thio)-6-thioxo-2H-purin-2-one chemical structure, C10H12N4O2S2, CAS 6466-01-9
1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-oxopropyl)thio)-6-thioxo-2H-purin-2-one
CAS 6466-01-9C10H12N4O2S2
6-Thiotheophylline chemical structure, C7H8N4OS, CAS 2398-70-1
6-Thiotheophylline
CAS 2398-70-1C7H8N4OS
8-(Decylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one chemical structure, C17H28N4OS2, CAS 4791-42-8
8-(Decylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
CAS 4791-42-8C17H28N4OS2
8-(2-Ethylbutylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one chemical structure, C13H20N4OS2, CAS 6492-99-5
8-(2-Ethylbutylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
CAS 6492-99-5C13H20N4OS2
9-Methyl-6-sulfanylidene-3H-purin-2-one chemical structure, C6H6N4OS, CAS 33403-03-1
9-Methyl-6-sulfanylidene-3H-purin-2-one
CAS 33403-03-1C6H6N4OS
8-Hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one chemical structure, C13H20N4OS2, CAS 6492-92-8
8-Hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
CAS 6492-92-8C13H20N4OS2