2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-heptyl-pyrimidine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-heptyl-pyrimidine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-heptylpyrimidine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-heptylpyrimidine Traditional Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-heptyl-pyrimidine Formula: C25H36F2N2O MolecularWeight: 418.562946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCCC)F)F

InChI

InChI=1S/C25H36F2N2O/c1-3-5-7-9-11-13-17-30-22-16-15-21(23(26)24(22)27)25-28-18-20(19-29-25)14-12-10-8-6-4-2/h15-16,18-19H,3-14,17H2,1-2H3