1,3-dimethyl-7-[(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-propyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(4-propyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]xanthine Formula: C13H17N7O2S MolecularWeight: 335.38478

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NNC1=S)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCN1C(=NNC1=S)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H17N7O2S/c1-4-5-20-8(15-16-12(20)23)6-19-7-14-10-9(19)11(21)18(3)13(22)17(10)2/h7H,4-6H2,1-3H3,(H,16,23)