4-cyano-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide

Systemtic Name: 4-cyano-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Openeye Name: 4-cyano-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide CAS Name: 4-cyano-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide IUPAC Name: 4-cyano-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Traditional Name: 4-cyano-N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Formula: C20H14N6O2 MolecularWeight: 370.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H14N6O2/c21-10-13-6-8-14(9-7-13)19(27)22-12-17-24-18-16(20(28)25-17)11-23-26(18)15-4-2-1-3-5-15/h1-9,11,23H,12H2,(H,22,27)