-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2958   -0.0167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    1.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.4958    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
   -2.1625    1.0083    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 10  2  0  0  0  0
 13 12  1  0  0  0  0
  5  6  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <ID> (BBL000459)
BBL000459

>  <Rotatable_Bonds> (BBL000459)
0

>  <logP> (BBL000459)
0.939

>  <PSA> (BBL000459)
64.43

>  <H_Donors> (BBL000459)
1

>  <H_Acceptors> (BBL000459)
1

>  <Number_of_rings> (BBL000459)
2

>  <NAME> (BBL000459)
3-methyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

>  <Mol_Weight> (BBL000459)
192.24

>  <Mol_Formula> (BBL000459)
C9H8N2OS

>  <Smiles> (BBL000459)
Cn1c(=S)[nH]c2c(c1=O)cccc2

>  <CAS_Number> (BBL000459)
1705-09-5

>  <Alternative_identifier> (BBL000459)
MFCD00265973

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