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

Systemtic Name: N-(2-methylpropyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-isobutyl-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-isobutyl-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C17H18N6O4 MolecularWeight: 370.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4/c1-11(2)7-18-15(24)9-21-10-19-16-12(17(21)25)8-20-22(16)13-5-3-4-6-14(13)23(26)27/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,24)