2-[3-fluoranyl-4-(3-fluoranylhexoxy)phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranylhexoxy)phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluorohexoxy)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluorohexoxy)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluorohexoxy)phenyl]-5-hexylpyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluorohexoxy)phenyl]-5-hexyl-pyrimidine Formula: C22H30F2N2O MolecularWeight: 376.483206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCC)F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCC)F)F

InChI

InChI=1S/C22H30F2N2O/c1-3-5-6-7-9-17-15-25-22(26-16-17)18-10-11-21(20(24)14-18)27-13-12-19(23)8-4-2/h10-11,14-16,19H,3-9,12-13H2,1-2H3