Analyte Name

2-((4-amino-3-(3-hydroxyphenyl)pyrazolo(3,4-d)pyrimidin-1-yl)methyl)-5-methyl-3-(2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl)quinazolin-4-one

Molecular Formula

C28 D7 H16 N7 O2

Molecular Weight

496.571

Accurate Mass

496.235

SMILES

[2H]c1c([2H])c([2H])c(c(N2C(=Nc3cccc(C)c3C2=O)Cn4nc(c5cccc(O)c5)c6c(N)ncnc46)c1[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)/i1D3,3D,4D,7D,12D

IUPAC

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

Unlabelled CAS Number

900185-02-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat