5-(2-fluoranyl-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2-fluoro-4-methylhexoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-4-methylhexoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CC)F

InChI

InChI=1S/C25H37FN2O/c1-4-6-7-8-9-10-11-21-12-14-22(15-13-21)25-27-17-24(18-28-25)29-19-23(26)16-20(3)5-2/h12-15,17-18,20,23H,4-11,16,19H2,1-3H3