2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-(6-fluoranylheptyl)pyrimidine

Systemtic Name: 2-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-(6-fluoranylheptyl)pyrimidine Openeye Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-(6-fluoroheptyl)pyrimidine CAS Name: 2-(4-decoxy-2,3-difluorophenyl)-5-(6-fluoroheptyl)pyrimidine IUPAC Name: 2-(4-decoxy-2,3-difluorophenyl)-5-(6-fluoroheptyl)pyrimidine Traditional Name: 2-(4-decoxy-2,3-difluoro-phenyl)-5-(6-fluoroheptyl)pyrimidine Formula: C27H39F3N2O MolecularWeight: 464.60657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39F3N2O/c1-3-4-5-6-7-8-9-13-18-33-24-17-16-23(25(29)26(24)30)27-31-19-22(20-32-27)15-12-10-11-14-21(2)28/h16-17,19-21H,3-15,18H2,1-2H3