-ISIS-  08091621332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.4375   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.2750    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  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
  8  9  2  0  0  0  0
  5  3  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <ID> (BBL000767)
BBL000767

>  <Rotatable_Bonds> (BBL000767)
0

>  <logP> (BBL000767)
2.584

>  <PSA> (BBL000767)
86.44

>  <H_Donors> (BBL000767)
2

>  <H_Acceptors> (BBL000767)
2

>  <Number_of_rings> (BBL000767)
3

>  <NAME> (BBL000767)
5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000767)
222.27

>  <Mol_Formula> (BBL000767)
C10H10N2O2S

>  <Smiles> (BBL000767)
O=c1[nH]c2sc3c(c2c(=O)[nH]1)CCCC3

>  <Alternative_identifier> (BBL000767)
MFCD00106578

$$$$