3-methyl-7-(2-methylprop-2-enyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]xanthine Formula: C13H14N6O2S2 MolecularWeight: 350.41926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C13H14N6O2S2/c1-6(2)5-19-8-9(18(4)11(21)15-10(8)20)14-12(19)23-13-17-16-7(3)22-13/h1,5H2,2-4H3,(H,15,20,21)