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

Systemtic Name: 1-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H24N6O5 MolecularWeight: 380.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N6O5/c23-16(24)12-1-4-21(5-2-12)15-13(22(25)26)14(18-11-19-15)17-3-6-20-7-9-27-10-8-20/h11-12H,1-10H2,(H,23,24)(H,17,18,19)