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Substance Name: 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)-, (S)-
RN: 127945-95-3
InChIKey: XLYCXJBVTVJBDO-LURJTMIESA-N

Molecular Formula

  • C12-H17-N5-O3-S

Molecular Weight

  • 311.3643
 
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Names and Synonyms

Synonyms

  • 4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((S)-2,4-dihydroxybutyl)pyrrolo-(2,3-d)pyrimidine
  • 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA

Systematic Name

  • 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)-, (S)-

Registry Numbers

CAS Registry Number

  • 127945-95-3

System Generated Number

  • 0127945953

Structure Descriptors

InChI

1S/C12H17N5O3S/c1-21-12-8(10(14)20)7-9(13)15-5-16-11(7)17(12)4-6(19)2-3-18/h5-6,18-19H,2-4H2,1H3,(H2,14,20)(H2,13,15,16)/t6-/m0/s1

InChIKey

XLYCXJBVTVJBDO-LURJTMIESA-N

Smiles

CSc1c(c2c(ncnc2n1C[C@H](CCO)O)N)C(=O)N