6,8-bis(methylsulfanyl)-9-phenyl-3H-purin-2-one

Systemtic Name: 6,8-bis(methylsulfanyl)-9-phenyl-3H-purin-2-one Openeye Name: 6,8-bis(methylsulfanyl)-9-phenyl-3H-purin-2-one CAS Name: 6,8-bis(methylthio)-9-phenyl-3H-purin-2-one IUPAC Name: 6,8-bis(methylsulfanyl)-9-phenyl-3H-purin-2-one Traditional Name: 6,8-bis(methylthio)-9-phenyl-3H-purin-2-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)NC2=C1N=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CSC1=NC(=O)NC2=C1N=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C13H12N4OS2/c1-19-11-9-10(15-12(18)16-11)17(13(14-9)20-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16,18)