5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]-2-(4-hexylphenyl)pyrimidine

Systemtic Name: 5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoro-3-methyl-butoxy)phenyl]-2-(4-hexylphenyl)pyrimidine CAS Name: 5-[4-(2-fluoro-3-methylbutoxy)phenyl]-2-(4-hexylphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoro-3-methylbutoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Traditional Name: 5-[4-(2-fluoro-3-methyl-butoxy)phenyl]-2-(4-hexylphenyl)pyrimidine Formula: C27H33FN2O MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

InChI

InChI=1S/C27H33FN2O/c1-4-5-6-7-8-21-9-11-23(12-10-21)27-29-17-24(18-30-27)22-13-15-25(16-14-22)31-19-26(28)20(2)3/h9-18,20,26H,4-8,19H2,1-3H3