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

Systemtic Name: 4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H18N6O4 MolecularWeight: 358.35192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c1-20-6-8-21(9-7-20)15-13(22(25)26)14(17-10-18-15)19-12-4-2-11(3-5-12)16(23)24/h2-5,10H,6-9H2,1H3,(H,23,24)(H,17,18,19)