1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylsulfanyldiazenyl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylsulfanyldiazenyl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylsulfanylazo)pyrazol-3-one CAS Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-7H-purine-6-sulfenamide IUPAC Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylsulfanyldiazenyl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylthio)azo-3-pyrazolin-3-one Formula: C16H14N8OS MolecularWeight: 366.40036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H14N8OS/c1-10-12(16(25)24(23(10)2)11-6-4-3-5-7-11)21-22-26-15-13-14(18-8-17-13)19-9-20-15/h3-9H,1-2H3,(H,17,18,19,20)