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

Systemtic Name: 5-(4-butylphenyl)-2-(3-fluoranyl-4-heptyl-phenyl)pyrimidine Openeye Name: 5-(4-butylphenyl)-2-(3-fluoro-4-heptyl-phenyl)pyrimidine CAS Name: 5-(4-butylphenyl)-2-(3-fluoro-4-heptylphenyl)pyrimidine IUPAC Name: 5-(4-butylphenyl)-2-(3-fluoro-4-heptylphenyl)pyrimidine Traditional Name: 5-(4-butylphenyl)-2-(3-fluoro-4-heptyl-phenyl)pyrimidine Formula: C27H33FN2 MolecularWeight: 404.562723

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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)CCCC)F

Isomeric SMILES

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

InChI

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