-ISIS-  08091621332D

 19 22  0  0  0  0  0  0  0  0999 V2000
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   -1.0667   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1042   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.0875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2542   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    0.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1042    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1917   -3.2583    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  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
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 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
  7  9  1  0  0  0  0
  6  4  2  0  0  0  0
 14 18  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <ID> (BBL000061)
BBL000061

>  <Rotatable_Bonds> (BBL000061)
0

>  <logP> (BBL000061)
2.608

>  <PSA> (BBL000061)
67.69

>  <H_Donors> (BBL000061)
1

>  <H_Acceptors> (BBL000061)
0

>  <Number_of_rings> (BBL000061)
4

>  <NAME> (BBL000061)
2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine

>  <Mol_Weight> (BBL000061)
273.40

>  <Mol_Formula> (BBL000061)
C15H19N3S

>  <Smiles> (BBL000061)
N=c1c2c(sc3c2CCCC3)nc2n1CCCCC2

>  <Alternative_identifier> (BBL000061)
MFCD00470004

$$$$