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Substance Name: 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-oxo-
RN: 127945-67-9
InChIKey: IAASBKRMKWEJDD-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-N5-O4-S

Molecular Weight

  • 325.3475
 
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Names and Synonyms

Synonyms

  • 2-Amino-5-cyano-6-(methylthio)-7-((1,3-dihydroxy-2-propoxy)methyl)pyrrolo(2,3-d)pyrimidin-4-one
  • 7-CN-8-MeS-Acyclic-7-deazaG

Systematic Name

  • 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-4-oxo-

Registry Numbers

CAS Registry Number

  • 127945-67-9

System Generated Number

  • 0127945679

Structure Descriptors

InChI

1S/C12H15N5O4S/c1-22-11-7(2-13)8-9(15-12(14)16-10(8)20)17(11)5-21-6(3-18)4-19/h6,18-19H,3-5H2,1H3,(H3,14,15,16,20)

InChIKey

IAASBKRMKWEJDD-UHFFFAOYSA-N

Smiles

CSc1c(c2c(=O)[nH]c(nc2n1COC(CO)CO)N)C#N