1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H22N6O4 MolecularWeight: 350.37298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C15H22N6O4/c1-18-6-8-20(9-7-18)14-12(21(24)25)13(16-10-17-14)19-4-2-11(3-5-19)15(22)23/h10-11H,2-9H2,1H3,(H,22,23)