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

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]ethanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N6O5/c1-20-15-12(6-19-20)16(25)21(9-18-15)8-14(24)17-7-13(23)10-2-4-11(5-3-10)22(26)27/h2-6,9,13,23H,7-8H2,1H3,(H,17,24)