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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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