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Substance Name: 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine
RN: 17730-86-8
InChIKey: GFRVAQAQOHIJMD-UHFFFAOYSA-N

Note

  • Modifies allosteric site of phosphorylase b.

Molecular Formula

  • C19-H15-F-N6-O3-S2

Molecular Weight

  • 458.4965
 
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Names and Synonyms

Name of Substance

  • 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine

Synonym

  • 8-(m-(m-Fluorosulfonylbenzamido)benzylthio)adenine

Systematic Name

  • Benzenesulfonyl fluoride, 3-(((3-(((6-amino-1H-purin-8-yl)thio)methyl)phenyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 17730-86-8

System Generated Number

  • 0017730868

Structure Descriptors

InChI

1S/C19H15FN6O3S2/c20-31(28,29)14-6-2-4-12(8-14)18(27)24-13-5-1-3-11(7-13)9-30-19-25-15-16(21)22-10-23-17(15)26-19/h1-8,10H,9H2,(H,24,27)(H3,21,22,23,25,26)

InChIKey

GFRVAQAQOHIJMD-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)NC(=O)c2cccc(c2)S(=O)(=O)F)CSc3[nH]c4c(ncnc4n3)N