2-[4-[2,3-bis(fluoranyl)-4-pentyl-phenyl]phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-pentyl-phenyl]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(2,3-difluoro-4-pentyl-phenyl)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(4-amyl-2,3-difluoro-phenyl)phenyl]-5-hexyl-pyrimidine Formula: C27H32F2N2 MolecularWeight: 422.553186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCC)F)F

InChI

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