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

Systemtic Name: 5-(3-fluoranyl-4-methyl-heptoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-4-methyl-heptoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-4-methylheptoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-4-methylheptoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-4-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(C(C)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C26H39FN2O/c1-4-6-7-8-9-10-12-22-13-15-23(16-14-22)26-28-19-24(20-29-26)30-18-17-25(27)21(3)11-5-2/h13-16,19-21,25H,4-12,17-18H2,1-3H3