Analyte Name

Imino-methyl-oxo-[2,2,3,3-tetradeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-Lambda6-sulfane

Molecular Formula

C20 D4 H20 N6 O2 S

Molecular Weight

416.533

Accurate Mass

416.193

SMILES

[2H]C1([2H])C([2H])([2H])C1(c2cc(nc(n2)c3ccnc4[nH]ccc34)N5CCOC[C@H]5C)S(=N)(=O)C

InChI

InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29?/m1/s1/i5D2,6D2

IUPAC

imino-methyl-oxo-[2,2,3,3-tetradeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-?6-sulfane

Unlabelled CAS Number

1352226-88-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat