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

Systemtic Name: ethyl 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C28H49N5O4 MolecularWeight: 519.71976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C28H49N5O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-26-25(33(35)36)27(31-23-30-26)32-21-18-19-24(22-32)28(34)37-4-2/h23-24H,3-22H2,1-2H3,(H,29,30,31)