8-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H17N7O2S MolecularWeight: 431.47038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N7O2S/c1-26-17-15(18(29)27(2)21(26)30)22-19(23-17)31-20-25-24-16(13-9-5-3-6-10-13)28(20)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,22,23)