1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C26H45N5O4 MolecularWeight: 491.6666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-24-23(31(34)35)25(29-21-28-24)30-19-16-22(17-20-30)26(32)33/h21-22H,2-20H2,1H3,(H,32,33)(H,27,28,29)