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

Systemtic Name: 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N5O5/c1-24-8-2-5-15-12-11(19(22)23)13(17-9-16-12)18-6-3-10(4-7-18)14(20)21/h9-10H,2-8H2,1H3,(H,20,21)(H,15,16,17)