-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.4583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7833   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8083    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.6292    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  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  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
  9  7  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <ID> (BBL000776)
BBL000776

>  <Rotatable_Bonds> (BBL000776)
1

>  <logP> (BBL000776)
1.091

>  <PSA> (BBL000776)
86.93

>  <H_Donors> (BBL000776)
2

>  <H_Acceptors> (BBL000776)
1

>  <Number_of_rings> (BBL000776)
2

>  <NAME> (BBL000776)
3-amino-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one

>  <Mol_Weight> (BBL000776)
223.30

>  <Mol_Formula> (BBL000776)
C10H13N3OS

>  <Smiles> (BBL000776)
CCc1nc2sc(c(c2c(=O)n1N)C)C

>  <Alternative_identifier> (BBL000776)
MFCD00544447

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