4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]benzoic acid Formula: C20H19N7O4 MolecularWeight: 421.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O4/c28-20(29)14-4-6-15(7-5-14)24-18-17(27(30)31)19(23-13-22-18)26-11-9-25(10-12-26)16-3-1-2-8-21-16/h1-8,13H,9-12H2,(H,28,29)(H,22,23,24)