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

Systemtic Name: 2-[4-[4-butyl-2,3-bis(fluoranyl)phenyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(4-butyl-2,3-difluoro-phenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(4-butyl-2,3-difluoro-phenyl)phenyl]-5-heptyl-pyrimidine Formula: C27H32F2N2 MolecularWeight: 422.553186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCC)F)F

InChI

InChI=1S/C27H32F2N2/c1-3-5-7-8-9-10-20-18-30-27(31-19-20)23-14-12-21(13-15-23)24-17-16-22(11-6-4-2)25(28)26(24)29/h12-19H,3-11H2,1-2H3