N4-[2-(cyclohexen-1-yl)ethyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-(cyclohexen-1-yl)ethyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(cyclohexen-1-yl)ethyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(1-cyclohexenyl)ethyl]-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C28H49N5O2 MolecularWeight: 487.72096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CCCCC2

InChI

InChI=1S/C28H49N5O2/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/h19,24H,2-18,20-23H2,1H3,(H2,29,30,31,32)