methyl 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(butylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(butylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C15H23N5O4 MolecularWeight: 337.37422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O4/c1-3-4-7-16-13-12(20(22)23)14(18-10-17-13)19-8-5-11(6-9-19)15(21)24-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)