-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   -0.2292   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.2958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2792    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <ID> (BBL000922)
BBL000922

>  <Rotatable_Bonds> (BBL000922)
2

>  <logP> (BBL000922)
3.659

>  <PSA> (BBL000922)
95

>  <H_Donors> (BBL000922)
1

>  <H_Acceptors> (BBL000922)
1

>  <Number_of_rings> (BBL000922)
3

>  <NAME> (BBL000922)
7-(2-chlorophenyl)-2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000922)
308.81

>  <Mol_Formula> (BBL000922)
C13H9ClN2OS2

>  <Smiles> (BBL000922)
CSc1nc2c(csc2c(=O)[nH]1)c1ccccc1Cl

>  <Alternative_identifier> (BBL000922)
MFCD18804094

$$$$