3,7-dimethyl-8-(3-methyl-2-oxidanylidene-butyl)sulfanyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(3-methyl-2-oxidanylidene-butyl)sulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(3-methyl-2-oxo-butyl)sulfanyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(3-methyl-2-oxobutyl)thio]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(3-methyl-2-oxobutyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-3-methyl-butyl)thio]-3,7-dimethyl-xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)C(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O3S/c1-6(2)7(17)5-20-12-13-9-8(15(12)3)10(18)14-11(19)16(9)4/h6H,5H2,1-4H3,(H,14,18,19)