1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylthio)xanthine Formula: C10H11N7O2S MolecularWeight: 293.30504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC=NN3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC=NN3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11N7O2S/c1-15-5-6(16(2)10(19)17(3)7(5)18)13-9(15)20-8-11-4-12-14-8/h4H,1-3H3,(H,11,12,14)