1,3-dimethyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydropurine-2,6-quinone Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C16H17N7O2S/c1-20-13-12(14(24)21(2)16(20)25)22(9-17-13)8-11-18-19-15(26)23(11)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,19,26)