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Substance Name: Adenosine, N-(2-(5-methylmercapto-1H-indol-3-yl)ethyl)-
ID: AU74049250
InChIKey: WKKKACBKELQLLX-QTQZEZTPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N6-O4-S

Molecular Weight

  • 456.5246
 
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Names and Synonyms

Synonyms

  • N(sup 6)-(beta-(5-Methylmercaptoindolyl-3)-ethyl)adenosine
  • N-(2-(5-Methylmercapto-1H-indol-3-yl)ethyl)adenosine

Systematic Name

  • Adenosine, N-(2-(5-methylmercapto-1H-indol-3-yl)ethyl)-

Registry Numbers

ID Number

  • NIOSH/AU7404925

System Generated Number

  • AU74049250

Structure Descriptors

InChI

1S/C21H24N6O4S/c1-32-12-2-3-14-13(6-12)11(7-23-14)4-5-22-19-16-20(25-9-24-19)27(10-26-16)21-18(30)17(29)15(8-28)31-21/h2-3,6-7,9-10,15,17-18,21,23,28-30H,4-5,8H2,1H3,(H,22,24,25)/t15-,17-,18-,21-/m1/s1

InChIKey

WKKKACBKELQLLX-QTQZEZTPSA-N

Smiles

CSc1ccc2[nH]cc(CCNc3ncnc4c3ncn4[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c2c1