Analyte Name

4-((9-cyclopentyl-7,7-difluoro-6-oxo-5-(trideuteriomethyl)-8H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Molecular Formula

C27 D3 H31 F3 N7 O3

Molecular Weight

564.618

Accurate Mass

564.286

SMILES

[2H]C([2H])([2H])N1C(=O)C(F)(F)CN(C2CCCC2)c3nc(Nc4cc(F)c(cc4OC)C(=O)NC5CCN(C)CC5)ncc13

InChI

InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)/i2D3

IUPAC

4-[[9-cyclopentyl-7,7-difluoro-6-oxo-5-(trideuteriomethyl)-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Unlabelled CAS Number

1137868-52-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat