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

Systemtic Name: 5-(3-fluoranyl-5-methyl-octoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-5-methyl-octoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-5-methyloctoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-5-methyloctoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-5-methyl-octoxy)-2-(4-octylphenyl)pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41FN2O/c1-4-6-7-8-9-10-12-23-13-15-24(16-14-23)27-29-20-26(21-30-27)31-18-17-25(28)19-22(3)11-5-2/h13-16,20-22,25H,4-12,17-19H2,1-3H3