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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C26H47N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-25-24(31(32)33)26(29-23-28-25)30-21-18-15-16-19-22-30/h23H,2-22H2,1H3,(H,27,28,29)