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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C16H13N7O4 MolecularWeight: 367.31892

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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)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O4/c17-6-3-7-18-14(24)9-21-10-19-15-11(16(21)25)8-20-22(15)12-4-1-2-5-13(12)23(26)27/h1-2,4-5,8,10H,3,7,9H2,(H,18,24)