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

Systemtic Name: 5-butyl-2-[4-(2-fluoranyl-4-heptyl-phenyl)phenyl]pyrimidine Openeye Name: 5-butyl-2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]pyrimidine CAS Name: 5-butyl-2-[4-(2-fluoro-4-heptylphenyl)phenyl]pyrimidine IUPAC Name: 5-butyl-2-[4-(2-fluoro-4-heptylphenyl)phenyl]pyrimidine Traditional Name: 5-butyl-2-[4-(2-fluoro-4-heptyl-phenyl)phenyl]pyrimidine Formula: C27H33FN2 MolecularWeight: 404.562723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C27H33FN2/c1-3-5-7-8-9-11-21-12-17-25(26(28)18-21)23-13-15-24(16-14-23)27-29-19-22(20-30-27)10-6-4-2/h12-20H,3-11H2,1-2H3