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

Systemtic Name: 1-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]isonipecotic acid Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H21N5O4/c1-3-9(2)17-12-11(19(22)23)13(16-8-15-12)18-6-4-10(5-7-18)14(20)21/h8-10H,3-7H2,1-2H3,(H,20,21)(H,15,16,17)