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

Systemtic Name: 5-(3-fluoranyl-5-methyl-heptoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-5-methyl-heptoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-5-methylheptoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-5-methylheptoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-5-methyl-heptoxy)-2-(4-octylphenyl)pyrimidine Formula: C26H39FN2O MolecularWeight: 414.599063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39FN2O/c1-4-6-7-8-9-10-11-22-12-14-23(15-13-22)26-28-19-25(20-29-26)30-17-16-24(27)18-21(3)5-2/h12-15,19-21,24H,4-11,16-18H2,1-3H3