1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]xanthine Formula: C11H13N7O2S MolecularWeight: 307.33162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CN1C=NN=C1SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C11H13N7O2S/c1-15-5-12-14-10(15)21-9-13-6-7(16(9)2)17(3)11(20)18(4)8(6)19/h5H,1-4H3