2-(3-fluoranyl-4-hexyl-phenyl)-5-hexyl-pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-hexyl-phenyl)-5-hexyl-pyrimidine Openeye Name: 2-(3-fluoro-4-hexyl-phenyl)-5-hexyl-pyrimidine CAS Name: 2-(3-fluoro-4-hexylphenyl)-5-hexylpyrimidine IUPAC Name: 2-(3-fluoro-4-hexylphenyl)-5-hexylpyrimidine Traditional Name: 2-(3-fluoro-4-hexyl-phenyl)-5-hexyl-pyrimidine Formula: C22H31FN2 MolecularWeight: 342.493343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)F

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)F

InChI

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