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

Systemtic Name: 2-[4-decyl-2,3-bis(fluoranyl)phenyl]-5-(6-fluoranylheptyl)pyrimidine Openeye Name: 2-(4-decyl-2,3-difluoro-phenyl)-5-(6-fluoroheptyl)pyrimidine CAS Name: 2-(4-decyl-2,3-difluorophenyl)-5-(6-fluoroheptyl)pyrimidine IUPAC Name: 2-(4-decyl-2,3-difluorophenyl)-5-(6-fluoroheptyl)pyrimidine Traditional Name: 2-(4-decyl-2,3-difluoro-phenyl)-5-(6-fluoroheptyl)pyrimidine Formula: C27H39F3N2 MolecularWeight: 448.60717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

InChI

InChI=1S/C27H39F3N2/c1-3-4-5-6-7-8-9-13-16-23-17-18-24(26(30)25(23)29)27-31-19-22(20-32-27)15-12-10-11-14-21(2)28/h17-21H,3-16H2,1-2H3