2-(4-dodecylphenyl)-5-(2-fluoranyl-4-methyl-heptoxy)pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-(2-fluoranyl-4-methyl-heptoxy)pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methyl-heptoxy)pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methylheptoxy)pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methylheptoxy)pyrimidine Traditional Name: 5-(2-fluoro-4-methyl-heptoxy)-2-(4-laurylphenyl)pyrimidine Formula: C30H47FN2O MolecularWeight: 470.705383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CCC)F

InChI

InChI=1S/C30H47FN2O/c1-4-6-7-8-9-10-11-12-13-14-16-26-17-19-27(20-18-26)30-32-22-29(23-33-30)34-24-28(31)21-25(3)15-5-2/h17-20,22-23,25,28H,4-16,21,24H2,1-3H3