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

Systemtic Name: methyl 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C27H47N5O4 MolecularWeight: 505.69318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C27H47N5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-24(32(34)35)26(30-22-29-25)31-20-17-23(18-21-31)27(33)36-2/h22-23H,3-21H2,1-2H3,(H,28,29,30)