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

Systemtic Name: 5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-(6-hexoxypyridin-3-yl)pyrimidine Openeye Name: 5-(2,3-difluoro-4-octyl-phenyl)-2-(6-hexoxy-3-pyridyl)pyrimidine CAS Name: 5-(2,3-difluoro-4-octylphenyl)-2-(6-hexoxy-3-pyridinyl)pyrimidine IUPAC Name: 5-(2,3-difluoro-4-octylphenyl)-2-(6-hexoxypyridin-3-yl)pyrimidine Traditional Name: 5-(2,3-difluoro-4-octyl-phenyl)-2-(6-hexoxy-3-pyridyl)pyrimidine Formula: C29H37F2N3O MolecularWeight: 481.620386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CN=C(C=C3)OCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CN=C(C=C3)OCCCCCC)F)F

InChI

InChI=1S/C29H37F2N3O/c1-3-5-7-9-10-11-13-22-14-16-25(28(31)27(22)30)24-20-33-29(34-21-24)23-15-17-26(32-19-23)35-18-12-8-6-4-2/h14-17,19-21H,3-13,18H2,1-2H3