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

Systemtic Name: 5-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-2-(6-dodecoxypyridin-3-yl)pyrimidine Openeye Name: 5-(2,3-difluoro-4-octoxy-phenyl)-2-(6-dodecoxy-3-pyridyl)pyrimidine CAS Name: 5-(2,3-difluoro-4-octoxyphenyl)-2-(6-dodecoxy-3-pyridinyl)pyrimidine IUPAC Name: 5-(2,3-difluoro-4-octoxyphenyl)-2-(6-dodecoxypyridin-3-yl)pyrimidine Traditional Name: 5-(2,3-difluoro-4-octoxy-phenyl)-2-(6-lauryloxy-3-pyridyl)pyrimidine Formula: C35H49F2N3O2 MolecularWeight: 581.779266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NC=C(C=C1)C2=NC=C(C=N2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCCCOC1=NC=C(C=C1)C2=NC=C(C=N2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C35H49F2N3O2/c1-3-5-7-9-11-12-13-14-16-18-24-42-32-22-19-28(25-38-32)35-39-26-29(27-40-35)30-20-21-31(34(37)33(30)36)41-23-17-15-10-8-6-4-2/h19-22,25-27H,3-18,23-24H2,1-2H3