5-(2-fluoranyl-5-methyl-heptoxy)-2-(4-nonylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-5-methyl-heptoxy)-2-(4-nonylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-5-methyl-heptoxy)-2-(4-nonylphenyl)pyrimidine CAS Name: 5-(2-fluoro-5-methylheptoxy)-2-(4-nonylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-5-methylheptoxy)-2-(4-nonylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-5-methyl-heptoxy)-2-(4-nonylphenyl)pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(C)CC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(C)CC)F

InChI

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