N-[4-(cyanomethyl)phenyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C21H16N6O2 MolecularWeight: 384.39074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H16N6O2/c22-11-10-15-6-8-16(9-7-15)25-19(28)13-26-14-23-20-18(21(26)29)12-24-27(20)17-4-2-1-3-5-17/h1-9,12,14H,10,13H2,(H,25,28)