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

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

Systemtic Name:1-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid
Openeye Name:1-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid
CAS Name:1-[6-(ethylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
Traditional Name:1-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid
Formula: C12H17N5O4
MolecularWeight: 295.29448
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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O


Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O


InChI

InChI=1S/C12H17N5O4/c1-2-13-10-9(17(20)21)11(15-7-14-10)16-5-3-8(4-6-16)12(18)19/h7-8H,2-6H2,1H3,(H,18,19)(H,13,14,15)


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