7-(But-2-yn-1-yl)-3-methyl-8-((3R)-3-(1-methyl-2-(piperidin-3-yl-4,4,5,5,6,6-D₆)hydrazineyl)piperidin-1-yl)-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione Hydrochloride

Analyte Name

7-(But-2-yn-1-yl)-3-methyl-8-((3R)-3-(1-methyl-2-(piperidin-3-yl-4,4,5,5,6,6-D6)hydrazineyl)piperidin-1-yl)-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione Hydrochloride

Molecular Formula

C31H34D6N10O2 . HCl

Molecular Weight

663.68

Accurate Mass

662.33

SMILES

CC1=NC(CN2C(N(C)C3=C(N(C(N4C[C@H](N(NC5CNC([2H])(C([2H])(C5([2H])[2H])[2H])[2H])C)CCC4)=N3)CC#CC)C2=O)=O)=NC6=CC=CC=C61.Cl

InChI

InChI=1S/C31H40N10O2.ClH/c1-5-6-17-40-27-28(35-30(40)39-16-10-12-23(19-39)38(4)36-22-11-9-15-32-18-22)37(3)31(43)41(29(27)42)20-26-33-21(2)24-13-7-8-14-25(24)34-26;/h7-8,13-14,22-23,32,36H,9-12,15-20H2,1-4H3;1H/t22?,23-;/m1./s1/i9D2,11D2,15D2;

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat