2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-5-(6-fluoranylheptyl)pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-5-(6-fluoranylheptyl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-octyl-phenyl)-5-(6-fluoroheptyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-octylphenyl)-5-(6-fluoroheptyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-octylphenyl)-5-(6-fluoroheptyl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-octyl-phenyl)-5-(6-fluoroheptyl)pyrimidine Formula: C25H35F3N2 MolecularWeight: 420.55401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

InChI

InChI=1S/C25H35F3N2/c1-3-4-5-6-7-11-14-21-15-16-22(24(28)23(21)27)25-29-17-20(18-30-25)13-10-8-9-12-19(2)26/h15-19H,3-14H2,1-2H3