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

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

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCCC)F

InChI

InChI=1S/C30H47FN2O/c1-4-6-8-9-10-11-12-13-14-15-17-26-18-20-27(21-19-26)30-32-22-28(23-33-30)34-24-29(31)25(3)16-7-5-2/h18-23,25,29H,4-17,24H2,1-3H3