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

Systemtic Name: ethyl 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(butylamino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(butylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(butylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C16H25N5O4/c1-3-5-8-17-14-13(21(23)24)15(19-11-18-14)20-9-6-7-12(10-20)16(22)25-4-2/h11-12H,3-10H2,1-2H3,(H,17,18,19)