5-(3-fluoranyl-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-(3-fluoranyl-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-4-methylhexoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-4-methylhexoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-4-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CC)F

InChI

InChI=1S/C25H37FN2O/c1-4-6-7-8-9-10-11-21-12-14-22(15-13-21)25-27-18-23(19-28-25)29-17-16-24(26)20(3)5-2/h12-15,18-20,24H,4-11,16-17H2,1-3H3