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

Systemtic Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H17N7O2S MolecularWeight: 383.42758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H17N7O2S/c1-4-11-20-21-16(24(11)10-8-6-5-7-9-10)27-15-18-12-13(19-15)22(2)17(26)23(3)14(12)25/h5-9H,4H2,1-3H3,(H,18,19)