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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-(5-fluoranylhexyl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(5-fluorohexyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(5-fluorohexyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(5-fluorohexyl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(5-fluorohexyl)pyrimidine Formula: C24H33F3N2O MolecularWeight: 422.52683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCC(C)F)F)F

InChI

InChI=1S/C24H33F3N2O/c1-3-4-5-6-7-10-15-30-21-14-13-20(22(26)23(21)27)24-28-16-19(17-29-24)12-9-8-11-18(2)25/h13-14,16-18H,3-12,15H2,1-2H3