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

Systemtic Name: 5-dodecyl-2-[4-(3-fluoranylhexoxy)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(3-fluorohexoxy)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(3-fluorohexoxy)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(3-fluorohexoxy)phenyl]pyrimidine Traditional Name: 2-[4-(3-fluorohexoxy)phenyl]-5-lauryl-pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43FN2O/c1-3-5-6-7-8-9-10-11-12-13-15-24-22-30-28(31-23-24)25-16-18-27(19-17-25)32-21-20-26(29)14-4-2/h16-19,22-23,26H,3-15,20-21H2,1-2H3