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Substance Name: 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-amino-7-(2,4-dihydroxybutyl)-4,7-dihydro-6-(methylthio)-4-oxo-, (S)-
RN: 127945-70-4
InChIKey: OXAHZVDNEHRIAG-LURJTMIESA-N

Molecular Formula

  • C12-H15-N5-O3-S

Molecular Weight

  • 309.3485
 
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Names and Synonyms

Synonyms

  • 2-Amino-5-cyano-6-(methylthio)-7-((S)-2,4-dihydroxybutyl)pyrrolo(2,3-d)-pyrimidin-4-one
  • 7-CN-8-MeS-7-(2,4-diOHBu)-7-deazaG

Systematic Name

  • 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-amino-7-(2,4-dihydroxybutyl)-4,7-dihydro-6-(methylthio)-4-oxo-, (S)-

Registry Numbers

CAS Registry Number

  • 127945-70-4

System Generated Number

  • 0127945704

Structure Descriptors

InChI

1S/C12H15N5O3S/c1-21-11-7(4-13)8-9(15-12(14)16-10(8)20)17(11)5-6(19)2-3-18/h6,18-19H,2-3,5H2,1H3,(H3,14,15,16,20)/t6-/m0/s1

InChIKey

OXAHZVDNEHRIAG-LURJTMIESA-N

Smiles

CSc1c(c2c(=O)[nH]c(nc2n1C[C@H](CCO)O)N)C#N