N6-hexadecyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-phenethylpyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-phenethylpyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C28H45N5O2 MolecularWeight: 483.6892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

InChI=1S/C28H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-29-27-26(33(34)35)28(32-24-31-27)30-23-21-25-19-16-15-17-20-25/h15-17,19-20,24H,2-14,18,21-23H2,1H3,(H2,29,30,31,32)