4-cyano-N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide

Systemtic Name: 4-cyano-N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Openeye Name: 4-cyano-N-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-cyano-N-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-cyano-N-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-cyano-N-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C19H12N6O2 MolecularWeight: 356.33758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H12N6O2/c20-10-13-6-8-14(9-7-13)18(26)23-24-12-21-17-16(19(24)27)11-22-25(17)15-4-2-1-3-5-15/h1-9,11-12H,(H,23,26)