5-butyl-2-(3-fluoranyl-4-octyl-phenyl)pyrimidine

Systemtic Name: 5-butyl-2-(3-fluoranyl-4-octyl-phenyl)pyrimidine Openeye Name: 5-butyl-2-(3-fluoro-4-octyl-phenyl)pyrimidine CAS Name: 5-butyl-2-(3-fluoro-4-octylphenyl)pyrimidine IUPAC Name: 5-butyl-2-(3-fluoro-4-octylphenyl)pyrimidine Traditional Name: 5-butyl-2-(3-fluoro-4-octyl-phenyl)pyrimidine Formula: C22H31FN2 MolecularWeight: 342.493343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

InChI

InChI=1S/C22H31FN2/c1-3-5-7-8-9-10-12-19-13-14-20(15-21(19)23)22-24-16-18(17-25-22)11-6-4-2/h13-17H,3-12H2,1-2H3