1-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H18N6O4 MolecularWeight: 358.35192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

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