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

Systemtic Name: 2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-nonyl-pyrimidine CAS Name: 2-(4-decoxy-2,3-difluorophenyl)-5-nonylpyrimidine IUPAC Name: 2-(4-decoxy-2,3-difluorophenyl)-5-nonylpyrimidine Traditional Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-nonyl-pyrimidine Formula: C29H44F2N2O MolecularWeight: 474.669266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44F2N2O/c1-3-5-7-9-11-13-15-17-21-34-26-20-19-25(27(30)28(26)31)29-32-22-24(23-33-29)18-16-14-12-10-8-6-4-2/h19-20,22-23H,3-18,21H2,1-2H3