Analyte Name

N6-Cyclopropyl-9-[(1R,4S)-4-[(1,1-dimethylethoxy)methyl]-2-cyclopenten-1-yl]-9H-purine-2,6-diamine-d4

Molecular Formula

C18 D4 H22 N6 O

Molecular Weight

346.463

Accurate Mass

346.242

SMILES

[2H]C1([2H])C(Nc2nc(N)nc3c2ncn3[C@@H]4C[C@@H](COC(C)(C)C)C=C4)C1([2H])[2H]

InChI

InChI=1S/C18H26N6O/c1-18(2,3)25-9-11-4-7-13(8-11)24-10-20-14-15(21-12-5-6-12)22-17(19)23-16(14)24/h4,7,10-13H,5-6,8-9H2,1-3H3,(H3,19,21,22,23)/t11-,13-/m0/s1/i5D2,6D2

IUPAC

9-[(1R,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]-6-N-(2,2,3,3-tetradeuteriocyclopropyl)purine-2,6-diamine

Unlabelled CAS Number

1443421-68-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat