2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-octyl-pyrimidine Openeye Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-octyl-pyrimidine CAS Name: 2-(4-decoxy-2,3-difluorophenyl)-5-octylpyrimidine IUPAC Name: 2-(4-decoxy-2,3-difluorophenyl)-5-octylpyrimidine Traditional Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-octyl-pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCCCC)F)F

InChI

InChI=1S/C28H42F2N2O/c1-3-5-7-9-11-12-14-16-20-33-25-19-18-24(26(29)27(25)30)28-31-21-23(22-32-28)17-15-13-10-8-6-4-2/h18-19,21-22H,3-17,20H2,1-2H3