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

Systemtic Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H24N6O4 MolecularWeight: 364.39956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H24N6O4/c1-2-19-7-9-21(10-8-19)15-13(22(25)26)14(17-11-18-15)20-5-3-12(4-6-20)16(23)24/h11-12H,2-10H2,1H3,(H,23,24)