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

Systemtic Name: 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H21N7O4 MolecularWeight: 375.38244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O4/c24-16(25)12-2-7-22(8-3-12)15-13(23(26)27)14(19-10-20-15)18-4-1-6-21-9-5-17-11-21/h5,9-12H,1-4,6-8H2,(H,24,25)(H,18,19,20)