Analyte Name

CDK 4/6 Inhibitor-D6

Molecular Formula

C22 D6 H23 Cl N8

Molecular Weight

447.009

Accurate Mass

446.258

SMILES

[2H]C([2H])([2H])N(C1CCN(CC1)c2ccc(Nc3nccc(n3)c4c(Cl)n[nH]c4C(C)C)nc2)C([2H])([2H])[2H]

InChI

InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)/i3D3,4D3

IUPAC

N-[5-[4-[bis(trideuteriomethyl)amino]piperidin-1-yl]pyridin-2-yl]-4-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

Unlabelled CAS Number

1256963-02-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat