-ISIS-  08091621332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.3625   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
  3  5  2  0  0  0  0
  7 11  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <ID> (BBL000457)
BBL000457

>  <Rotatable_Bonds> (BBL000457)
0

>  <logP> (BBL000457)
2.487

>  <PSA> (BBL000457)
82.59

>  <H_Donors> (BBL000457)
1

>  <H_Acceptors> (BBL000457)
1

>  <Number_of_rings> (BBL000457)
3

>  <NAME> (BBL000457)
7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000457)
231.28

>  <Mol_Formula> (BBL000457)
C11H9N3OS

>  <Smiles> (BBL000457)
Cc1cc(C)c2c(n1)sc1c2nc[nH]c1=O

>  <Alternative_identifier> (BBL000457)
MFCD01312610

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