[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: (3-hydroxy-4-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3-hydroxy-4-nitrophenyl)-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-hydroxy-4-nitrophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-hydroxy-4-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N7O4/c1-21-15-12(9-20-21)16(19-10-18-15)22-4-6-23(7-5-22)17(26)11-2-3-13(24(27)28)14(25)8-11/h2-3,8-10,25H,4-7H2,1H3