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 Registry Number®

376608-75-2

CAS 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

Molecular Formula

C17H24ClN5O4S

Molecular Mass

429.92

Cite this Page

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 Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2588537-67-9 (retrieved 2024-11-26) (CAS RN: 376608-75-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=DUDSRYMPNIDSMX-RSLMWUCJSA-N

SMILES

O(CCO)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(Cl)N=C(SCCC)N4

Canonical SMILES

ClC1=NC(=NC2=C1N=NN2C3CC(OCCO)C4OC(OC43)(C)C)SCCC

Other Names for this Substance

  • Ethanol, 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]-
  • 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
  • (1S,2S,3R,5S)-3-[7-Chloro-5-(propylsulfanyl)[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Deleted or Replaced CAS Registry Numbers

1215268-17-9, 1354945-69-9, 2588537-67-9

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