8-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1,3,9-trimethyl-4,5-dihydropurine-2,6-quinone Formula: C10H14N8O2S MolecularWeight: 310.33556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C(=O)N2C)C)N=C1SC3=NNC(=N3)N

Isomeric SMILES

CN1C2C(C(=O)N(C(=O)N2C)C)N=C1SC3=NNC(=N3)N

InChI

InChI=1S/C10H14N8O2S/c1-16-5-4(6(19)18(3)10(20)17(5)2)12-9(16)21-8-13-7(11)14-15-8/h4-5H,1-3H3,(H3,11,13,14,15)