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

Systemtic Name: 2-[4-butoxy-2,3-bis(fluoranyl)phenyl]-5-(6-octoxypyridin-3-yl)pyrimidine Openeye Name: 2-(4-butoxy-2,3-difluoro-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine CAS Name: 2-(4-butoxy-2,3-difluorophenyl)-5-(6-octoxy-3-pyridinyl)pyrimidine IUPAC Name: 2-(4-butoxy-2,3-difluorophenyl)-5-(6-octoxypyridin-3-yl)pyrimidine Traditional Name: 2-(4-butoxy-2,3-difluoro-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine Formula: C27H33F2N3O2 MolecularWeight: 469.566626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=C(C=C3)OCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=C(C=C3)OCCCC)F)F

InChI

InChI=1S/C27H33F2N3O2/c1-3-5-7-8-9-10-16-34-24-14-11-20(17-30-24)21-18-31-27(32-19-21)22-12-13-23(26(29)25(22)28)33-15-6-4-2/h11-14,17-19H,3-10,15-16H2,1-2H3