-ISIS-  08091621332D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.5208   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  4  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <ID> (BBL000602)
BBL000602

>  <Rotatable_Bonds> (BBL000602)
0

>  <logP> (BBL000602)
-0.518

>  <PSA> (BBL000602)
90.29

>  <H_Donors> (BBL000602)
2

>  <H_Acceptors> (BBL000602)
2

>  <Number_of_rings> (BBL000602)
1

>  <NAME> (BBL000602)
2-thioxodihydropyrimidine-4,6(1H,5H)-dione

>  <Mol_Weight> (BBL000602)
144.15

>  <Mol_Formula> (BBL000602)
C4H4N2O2S

>  <Smiles> (BBL000602)
O=C1CC(=O)NC(=S)N1

>  <CAS_Number> (BBL000602)
504-17-6

>  <Alternative_identifier> (BBL000602)
MFCD00006674

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