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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-5-(6-butoxypyridin-3-yl)pyrimidine Openeye Name: 5-(6-butoxy-3-pyridyl)-2-(2,3-difluoro-4-octyl-phenyl)pyrimidine CAS Name: 5-(6-butoxy-3-pyridinyl)-2-(2,3-difluoro-4-octylphenyl)pyrimidine IUPAC Name: 5-(6-butoxypyridin-3-yl)-2-(2,3-difluoro-4-octylphenyl)pyrimidine Traditional Name: 5-(6-butoxy-3-pyridyl)-2-(2,3-difluoro-4-octyl-phenyl)pyrimidine Formula: C27H33F2N3O MolecularWeight: 453.567226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)C3=CN=C(C=C3)OCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)C3=CN=C(C=C3)OCCCC)F)F

InChI

InChI=1S/C27H33F2N3O/c1-3-5-7-8-9-10-11-20-12-14-23(26(29)25(20)28)27-31-18-22(19-32-27)21-13-15-24(30-17-21)33-16-6-4-2/h12-15,17-19H,3-11,16H2,1-2H3