N4-(2-ethoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethoxyphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethoxyphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C28H45N5O3 MolecularWeight: 499.6886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2OCC

InChI

InChI=1S/C28H45N5O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-27-26(33(34)35)28(31-23-30-27)32-24-20-17-18-21-25(24)36-4-2/h17-18,20-21,23H,3-16,19,22H2,1-2H3,(H2,29,30,31,32)