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

Systemtic Name: 1-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4/c29-22(30)17-9-12-26(13-10-17)20-19(28(31)32)21(25-15-24-20)27(18-8-4-5-11-23-18)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14H2,(H,29,30)