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

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

Systemtic Name:1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid
Openeye Name:1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid
CAS Name:1-[6-(butylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[6-(butylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
Traditional Name:1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid
Formula: C14H21N5O4
MolecularWeight: 323.34764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O


Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O


InChI

InChI=1S/C14H21N5O4/c1-2-3-6-15-12-11(19(22)23)13(17-9-16-12)18-7-4-10(5-8-18)14(20)21/h9-10H,2-8H2,1H3,(H,20,21)(H,15,16,17)


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