4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C21H19FN6O4 MolecularWeight: 438.411763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN6O4/c22-15-3-7-17(8-4-15)26-9-11-27(12-10-26)20-18(28(31)32)19(23-13-24-20)25-16-5-1-14(2-6-16)21(29)30/h1-8,13H,9-12H2,(H,29,30)(H,23,24,25)