Analyte Name

(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol-d7

Molecular Formula

C15 D7 H13 Cl N5 O3 S

Molecular Weight

392.912

Accurate Mass

392.141

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1nc(Cl)c2nnn([C@@H]3C[C@H](O)[C@H]4OC(C)(C)O[C@@H]34)c2n1

InChI

InChI=1S/C15H20ClN5O3S/c1-4-5-25-14-17-12(16)9-13(18-14)21(20-19-9)7-6-8(22)11-10(7)23-15(2,3)24-11/h7-8,10-11,22H,4-6H2,1-3H3/t7-,8+,10+,11-/m1/s1/i1D3,4D2,5D2

IUPAC

(3aR,4S,6R,6aS)-6-[7-chloro-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Unlabelled CAS Number

220241-61-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat