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

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(propylcarbamoyl)acetamide Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O5/c1-2-7-18-17(27)21-14(25)9-22-10-19-15-11(16(22)26)8-20-23(15)12-5-3-4-6-13(12)24(28)29/h3-6,8,10H,2,7,9H2,1H3,(H2,18,21,25,27)