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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-(6-octoxypyridin-3-yl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(6-octoxy-3-pyridinyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(6-octoxypyridin-3-yl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine Formula: C31H41F2N3O2 MolecularWeight: 525.672946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)C3=CN=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)C3=CN=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C31H41F2N3O2/c1-3-5-7-9-11-13-19-37-27-17-16-26(29(32)30(27)33)31-35-22-25(23-36-31)24-15-18-28(34-21-24)38-20-14-12-10-8-6-4-2/h15-18,21-23H,3-14,19-20H2,1-2H3