Analyte Name

2,3-trans-3-((4-Amino-6-(1-fluoroethyl-D4)-1,3,5-triazin-2-yl)amino)-5-(hydroxymethyl)-2-methyl-2,3-dihydro-1H-inden-1-one (Mixture of Diastereomers)

Molecular Formula

C16H14D4FN5O2 . x(HCl)

Molecular Weight

371.83

SMILES

OCC1=CC=C2C([C@@H]([C@H](C2=O)C)NC3=NC(N)=NC(C(C([2H])([2H])[2H])([2H])F)=N3)=C1.Cl

InChI

InChI=1S/C16H18FN5O2.ClH/c1-7-12(11-5-9(6-23)3-4-10(11)13(7)24)19-16-21-14(8(2)17)20-15(18)22-16;/h3-5,7-8,12,23H,6H2,1-2H3,(H3,18,19,20,21,22);1H/t7-,8?,12-;/m1./s1/i2D3,8D;

IUPAC

(2R,3R)-3-((4-amino-6-(1-fluoroethyl-1,2,2,2-d4)-1,3,5-triazin-2-yl)amino)-5-(hydroxymethyl)-2-methyl-2,3-dihydro-1H-inden-1-one hydrochloride

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat