7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]xanthine Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC3=NN=CN3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC3=NN=CN3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H19N7O2S/c1-5-6-7-21-9-10(19(3)14(23)20(4)11(9)22)16-12(21)24-13-17-15-8-18(13)2/h8H,5-7H2,1-4H3