1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]isonipecotic acid Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c23-16(24)12-3-6-21(7-4-12)15-13(22(25)26)14(19-10-20-15)18-9-11-2-1-5-17-8-11/h1-2,5,8,10,12H,3-4,6-7,9H2,(H,23,24)(H,18,19,20)