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

Systemtic Name: 1-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]isonipecotic acid Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c26-19(27)12-6-9-24(10-7-12)18-16(25(28)29)17(21-11-22-18)23-15-5-1-4-14-13(15)3-2-8-20-14/h1-5,8,11-12H,6-7,9-10H2,(H,26,27)(H,21,22,23)