Analyte Name

5-(2-fluoro-3-(methoxy-d3)phenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-3-(2-oxo-2-phenylethyl)-2,4(1H,3H)-pyrimidinedione

Molecular Formula

C28 D3 H18 F5 N2 O4

Molecular Weight

547.488

Accurate Mass

547.161

SMILES

[2H]C([2H])([2H])Oc1cccc(C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(CC(=O)c4ccccc4)C2=O)c1F

InChI

InChI=1S/C28H21F5N2O4/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)35(15-22(36)17-8-4-3-5-9-17)27(38)34(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13H,14-15H2,1-2H3/i2D3

IUPAC

5-[2-fluoro-3-(trideuteriomethoxy)phenyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-3-phenacylpyrimidine-2,4-dione

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat