-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0792   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    2.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.1667    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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 13  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <ID> (BBL000923)
BBL000923

>  <Rotatable_Bonds> (BBL000923)
2

>  <logP> (BBL000923)
3.746

>  <PSA> (BBL000923)
95

>  <H_Donors> (BBL000923)
1

>  <H_Acceptors> (BBL000923)
1

>  <Number_of_rings> (BBL000923)
3

>  <NAME> (BBL000923)
7-(3-chlorophenyl)-2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000923)
308.81

>  <Mol_Formula> (BBL000923)
C13H9ClN2OS2

>  <Smiles> (BBL000923)
CSc1nc2c(csc2c(=O)[nH]1)c1cccc(c1)Cl

>  <Alternative_identifier> (BBL000923)
MFCD18804095

$$$$