-ISIS-  08091621332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.8917   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.5083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.0042    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  2  0  0  0  0
  4  5  2  0  0  0  0
  9  7  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <ID> (BBL000452)
BBL000452

>  <Rotatable_Bonds> (BBL000452)
0

>  <logP> (BBL000452)
3.427

>  <PSA> (BBL000452)
69.7

>  <H_Donors> (BBL000452)
1

>  <H_Acceptors> (BBL000452)
1

>  <Number_of_rings> (BBL000452)
3

>  <NAME> (BBL000452)
9-chloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000452)
236.68

>  <Mol_Formula> (BBL000452)
C10H5ClN2OS

>  <Smiles> (BBL000452)
Clc1cccc2c1c1nc[nH]c(=O)c1s2

>  <Alternative_identifier> (BBL000452)
MFCD17780423

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