1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)-9H-purin-7-ium-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)-9H-purin-7-ium-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylthio)-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylsulfanyl)-9H-purin-7-ium-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(1H-1,2,4-triazol-5-ylthio)-9H-purin-7-ium-2,6-quinone Formula: C10H12N7O2S+ MolecularWeight: 294.31298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SC3=NC=NN3)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SC3=NC=NN3)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)/p+1