2-(4-dodecylphenyl)-5-(2-fluoranyl-4-methyl-hexoxy)pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-(2-fluoranyl-4-methyl-hexoxy)pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methyl-hexoxy)pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methylhexoxy)pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-(2-fluoro-4-methylhexoxy)pyrimidine Traditional Name: 5-(2-fluoro-4-methyl-hexoxy)-2-(4-laurylphenyl)pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(C)CC)F

InChI

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