ethyl 1-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H27N5O4 MolecularWeight: 365.42738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C17H27N5O4/c1-4-6-9-20(3)15-14(22(24)25)16(19-12-18-15)21-10-7-8-13(11-21)17(23)26-5-2/h12-13H,4-11H2,1-3H3