2-[2,3-bis(fluoranyl)-4-nonoxy-phenyl]-5-(5-fluoranylhexyl)pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-nonoxy-phenyl]-5-(5-fluoranylhexyl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-nonoxy-phenyl)-5-(5-fluorohexyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-nonoxyphenyl)-5-(5-fluorohexyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-nonoxyphenyl)-5-(5-fluorohexyl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-nonoxy-phenyl)-5-(5-fluorohexyl)pyrimidine Formula: C25H35F3N2O MolecularWeight: 436.55341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCC(C)F)F)F

InChI

InChI=1S/C25H35F3N2O/c1-3-4-5-6-7-8-11-16-31-22-15-14-21(23(27)24(22)28)25-29-17-20(18-30-25)13-10-9-12-19(2)26/h14-15,17-19H,3-13,16H2,1-2H3