-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0125   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.2375    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8917   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417    2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0292    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
  9  7  2  0  0  0  0
  6  5  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <ID> (BBL000911)
BBL000911

>  <Rotatable_Bonds> (BBL000911)
1

>  <logP> (BBL000911)
2.906

>  <PSA> (BBL000911)
92.67

>  <H_Donors> (BBL000911)
1

>  <H_Acceptors> (BBL000911)
1

>  <Number_of_rings> (BBL000911)
3

>  <NAME> (BBL000911)
3-ethyl-7-phenyl-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one

>  <Mol_Weight> (BBL000911)
288.39

>  <Mol_Formula> (BBL000911)
C14H12N2OS2

>  <Smiles> (BBL000911)
CCn1c(=S)[nH]c2c(c1=O)scc2c1ccccc1

>  <Alternative_identifier> (BBL000911)
MFCD11998913

$$$$