1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C21H18FN7O2 MolecularWeight: 419.411723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C21H18FN7O2/c22-15-5-7-16(8-6-15)26-9-11-27(12-10-26)20-19(29(30)31)21(24-13-23-20)28-14-25-17-3-1-2-4-18(17)28/h1-8,13-14H,9-12H2