-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4167   -0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.4958    0.0000 C   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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
  6  5  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <ID> (BBL000462)
BBL000462

>  <Rotatable_Bonds> (BBL000462)
2

>  <logP> (BBL000462)
2.002

>  <PSA> (BBL000462)
64.43

>  <H_Donors> (BBL000462)
1

>  <H_Acceptors> (BBL000462)
1

>  <Number_of_rings> (BBL000462)
2

>  <NAME> (BBL000462)
3-propyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

>  <Mol_Weight> (BBL000462)
220.30

>  <Mol_Formula> (BBL000462)
C11H12N2OS

>  <Smiles> (BBL000462)
CCCn1c(=S)[nH]c2c(c1=O)cccc2

>  <CAS_Number> (BBL000462)
63586-34-5

>  <Alternative_identifier> (BBL000462)
MFCD00087299

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