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

Systemtic Name: 2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-heptyl-pyrimidine CAS Name: 2-(4-decoxy-2,3-difluorophenyl)-5-heptylpyrimidine IUPAC Name: 2-(4-decoxy-2,3-difluorophenyl)-5-heptylpyrimidine Traditional Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-heptyl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40F2N2O/c1-3-5-7-9-10-11-13-15-19-32-24-18-17-23(25(28)26(24)29)27-30-20-22(21-31-27)16-14-12-8-6-4-2/h17-18,20-21H,3-16,19H2,1-2H3