-ISIS-  08091621332D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.8042   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.6208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.4667    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  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID> (BBL000344)
BBL000344

>  <Rotatable_Bonds> (BBL000344)
0

>  <logP> (BBL000344)
3.479

>  <PSA> (BBL000344)
54.02

>  <H_Donors> (BBL000344)
0

>  <H_Acceptors> (BBL000344)
0

>  <Number_of_rings> (BBL000344)
3

>  <NAME> (BBL000344)
4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

>  <Mol_Weight> (BBL000344)
224.71

>  <Mol_Formula> (BBL000344)
C10H9ClN2S

>  <Smiles> (BBL000344)
Clc1ncnc2c1c1CCCCc1s2

>  <CAS_Number> (BBL000344)
40493-18-3

>  <Alternative_identifier> (BBL000344)
MFCD00463624

$$$$