5-dodecyl-2-[4-(2-fluoranyl-4-methyl-hexoxy)phenyl]pyrimidine

Systemtic Name: 5-dodecyl-2-[4-(2-fluoranyl-4-methyl-hexoxy)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(2-fluoro-4-methyl-hexoxy)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(2-fluoro-4-methylhexoxy)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(2-fluoro-4-methylhexoxy)phenyl]pyrimidine Traditional Name: 2-[4-(2-fluoro-4-methyl-hexoxy)phenyl]-5-lauryl-pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CC(C)CC)F

InChI

InChI=1S/C29H45FN2O/c1-4-6-7-8-9-10-11-12-13-14-15-25-21-31-29(32-22-25)26-16-18-28(19-17-26)33-23-27(30)20-24(3)5-2/h16-19,21-22,24,27H,4-15,20,23H2,1-3H3