2-(3-fluoranyl-4-heptyl-phenyl)-5-(4-pentylphenyl)pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-(4-pentylphenyl)pyrimidine Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-(4-pentylphenyl)pyrimidine CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-pentylphenyl)pyrimidine IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-(4-pentylphenyl)pyrimidine Traditional Name: 5-(4-amylphenyl)-2-(3-fluoro-4-heptyl-phenyl)pyrimidine Formula: C28H35FN2 MolecularWeight: 418.589303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C28H35FN2/c1-3-5-7-8-10-12-24-17-18-25(19-27(24)29)28-30-20-26(21-31-28)23-15-13-22(14-16-23)11-9-6-4-2/h13-21H,3-12H2,1-2H3