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

Systemtic Name: 5-dodecyl-2-[3-fluoranyl-4-(3-fluoranylhexoxy)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[3-fluoro-4-(3-fluorohexoxy)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[3-fluoro-4-(3-fluorohexoxy)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[3-fluoro-4-(3-fluorohexoxy)phenyl]pyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluorohexoxy)phenyl]-5-lauryl-pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCC)F)F

InChI

InChI=1S/C28H42F2N2O/c1-3-5-6-7-8-9-10-11-12-13-15-23-21-31-28(32-22-23)24-16-17-27(26(30)20-24)33-19-18-25(29)14-4-2/h16-17,20-22,25H,3-15,18-19H2,1-2H3