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

Systemtic Name: 2-[1-(2-hydroxyethyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[1-(2-hydroxyethyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[1-(2-hydroxyethyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[1-(2-hydroxyethyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-nitrophenyl)acetamide Formula: C15H14N6O5 MolecularWeight: 358.30886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3CCO)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O5/c22-6-5-20-14-12(7-17-20)15(24)19(9-16-14)8-13(23)18-10-1-3-11(4-2-10)21(25)26/h1-4,7,9,22H,5-6,8H2,(H,18,23)