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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide Formula: C22H17N7O4 MolecularWeight: 443.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H17N7O4/c23-11-6-12-27(16-7-2-1-3-8-16)20(30)14-26-15-24-21-17(22(26)31)13-25-28(21)18-9-4-5-10-19(18)29(32)33/h1-5,7-10,13,15H,6,12,14H2