Analyte Name

2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]quinazolin-4-one

Molecular Formula

C22 D7 H12 N7 O

Molecular Weight

404.476

Accurate Mass

404.209

SMILES

[2H]c1c([2H])c([2H])c(c(N2C(=Nc3cccc(C)c3C2=O)Cn4ncc5c(N)ncnc45)c1[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C22H19N7O/c1-13-6-3-4-9-17(13)29-18(27-16-8-5-7-14(2)19(16)22(29)30)11-28-21-15(10-26-28)20(23)24-12-25-21/h3-10,12H,11H2,1-2H3,(H2,23,24,25)/i1D3,3D,4D,6D,9D

IUPAC

2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]quinazolin-4-one

Unlabelled CAS Number

900185-01-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat