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

Systemtic Name: N-(3-methoxypropyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(3-methoxypropyl)acetamide Formula: C17H18N6O5 MolecularWeight: 386.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O5/c1-28-8-4-7-18-15(24)10-21-11-19-16-12(17(21)25)9-20-22(16)13-5-2-3-6-14(13)23(26)27/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,18,24)