6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
  -molcms-06122612202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.7024    0.2167    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024    1.9487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    1.0827    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
   -0.4612    1.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394    1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866    2.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7558    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4468    3.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7339    2.5838    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
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 N   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
    3.2024    2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024    2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    2.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851    3.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    3.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2024    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 15 21  1  0  0  0  0
 21  5  2  0  0  0  0
  3 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 24 28  1  0  0  0  0
 28  2  2  0  0  0  0
M  END
>  <ProductName>
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine

>  <CASNumber>
873436-91-0

>  <MolecularFormula>
C18H21IN6O2S

>  <MDLNo>


>  <MolWt>
512.37

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
IC1C(SC2N(CCCNC(C)C)C3C(=C(N)N=CN=3)N=2)=CC2=C(OCO2)C=1

$$$$