3-(9H-purin-6-ylsulfanyl)propanoic acid
  -molcms-06172611352D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.2024    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092    0.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    0.9781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <ProductName>
3-(9H-purin-6-ylsulfanyl)propanoic acid

>  <CASNumber>
608-10-6

>  <MolecularFormula>
C8H8N4O2S

>  <MDLNo>
MFCD01017157

>  <MolWt>
224.24

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O

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