2-[[(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-yl]oxy]ethanol
Product Code
TRC-C380495
CAS Number
Product Format
Neat
Molecular Formula
C17 H24 Cl N5 O4 S
Molecular Weight
429.92
Product Information
Chemical Data
Analyte Name
2-(((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-yl)oxy)ethanol
CAS Number
376608-75-2
Molecular Formula
C17 H24 Cl N5 O4 S
Molecular Weight
429.92
Accurate Mass
429.124
SMILES
CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@@H]34)c2n1
InChI
InChI=1S/C17H24ClN5O4S/c1-4-7-28-16-19-14(18)11-15(20-16)23(22-21-11)9-8-10(25-6-5-24)13-12(9)26-17(2,3)27-13/h9-10,12-13,24H,4-8H2,1-3H3/t9-,10+,12+,13-/m1/s1
IUPAC
2-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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