N-hexadecyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H47N5O2 MolecularWeight: 461.68368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-25-24(31(32)33)26(29-22-28-25)30-20-17-23(2)18-21-30/h22-23H,3-21H2,1-2H3,(H,27,28,29)