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Substance Name: 7-Benzyl-8-(methylthio)-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione
RN: 1254-16-6
InChIKey: RXEJYOIBTCWBMK-UHFFFAOYSA-N

Molecular Formula

  • C19-H16-N4-O5-S2

Molecular Weight

  • 444.4904
 
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Names and Synonyms

Synonym

  • NSC 88197

Systematic Name

  • 7-Benzyl-8-(methylthio)-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 1254-16-6

System Generated Number

  • 0001254166

Structure Descriptors

InChI

1S/C19H16N4O5S2/c1-29-19-21-16-15(22(19)12-13-8-4-2-5-9-13)17(24)23(18(25)20-16)28-30(26,27)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)

InChIKey

RXEJYOIBTCWBMK-UHFFFAOYSA-N

Smiles

CSc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)[nH]2)OS(=O)(=O)c4ccccc4