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

Systemtic Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)thio]xanthine Formula: C13H17N7O2S MolecularWeight: 335.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SC3=NN=CN3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SC3=NN=CN3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H17N7O2S/c1-7(2)20-8-9(18(4)13(22)19(5)10(8)21)15-11(20)23-12-16-14-6-17(12)3/h6-7H,1-5H3