2-(4-decylphenyl)-5-(2-fluoranyl-3-methyl-octoxy)pyrimidine

Systemtic Name: 2-(4-decylphenyl)-5-(2-fluoranyl-3-methyl-octoxy)pyrimidine Openeye Name: 2-(4-decylphenyl)-5-(2-fluoro-3-methyl-octoxy)pyrimidine CAS Name: 2-(4-decylphenyl)-5-(2-fluoro-3-methyloctoxy)pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-(2-fluoro-3-methyloctoxy)pyrimidine Traditional Name: 2-(4-decylphenyl)-5-(2-fluoro-3-methyl-octoxy)pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCCCC)F

InChI

InChI=1S/C29H45FN2O/c1-4-6-8-9-10-11-12-14-16-25-17-19-26(20-18-25)29-31-21-27(22-32-29)33-23-28(30)24(3)15-13-7-5-2/h17-22,24,28H,4-16,23H2,1-3H3