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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-(6-fluoranylheptyl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(6-fluoroheptyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(6-fluoroheptyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(6-fluoroheptyl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(6-fluoroheptyl)pyrimidine Formula: C25H35F3N2O MolecularWeight: 436.55341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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