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

Systemtic Name: 2-(4-dodecylphenyl)-5-(3-fluoranyl-4-methyl-heptoxy)pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-(3-fluoro-4-methyl-heptoxy)pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-(3-fluoro-4-methylheptoxy)pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-(3-fluoro-4-methylheptoxy)pyrimidine Traditional Name: 5-(3-fluoro-4-methyl-heptoxy)-2-(4-laurylphenyl)pyrimidine Formula: C30H47FN2O MolecularWeight: 470.705383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CCC)F

InChI

InChI=1S/C30H47FN2O/c1-4-6-7-8-9-10-11-12-13-14-16-26-17-19-27(20-18-26)30-32-23-28(24-33-30)34-22-21-29(31)25(3)15-5-2/h17-20,23-25,29H,4-16,21-22H2,1-3H3