4-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-fluoro-2-nitrophenyl)-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-fluoro-2-nitro-phenyl)piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C16H16FN7O2 MolecularWeight: 357.342343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN7O2/c1-21-15-12(9-20-21)16(19-10-18-15)23-6-4-22(5-7-23)13-3-2-11(17)8-14(13)24(25)26/h2-3,8-10H,4-7H2,1H3