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

Systemtic Name: 5-(3-fluoranyl-4-methyl-octoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-4-methyl-octoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-4-methyloctoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-4-methyloctoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-4-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(C(C)CCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H41FN2O/c1-4-6-8-9-10-11-13-23-14-16-24(17-15-23)27-29-20-25(21-30-27)31-19-18-26(28)22(3)12-7-5-2/h14-17,20-22,26H,4-13,18-19H2,1-3H3