-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0083   -0.7417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.0083   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.7667    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  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  7  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  5  7  1  0  0  0  0
 11 13  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <ID> (BBL000433)
BBL000433

>  <Rotatable_Bonds> (BBL000433)
0

>  <logP> (BBL000433)
3.008

>  <PSA> (BBL000433)
49.41

>  <H_Donors> (BBL000433)
1

>  <H_Acceptors> (BBL000433)
2

>  <Number_of_rings> (BBL000433)
3

>  <NAME> (BBL000433)
3-(3,4-dimethylphenyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000433)
266.30

>  <Mol_Formula> (BBL000433)
C16H14N2O2

>  <Smiles> (BBL000433)
Cc1cc(ccc1C)n1c(=O)[nH]c2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000433)
MFCD14703304

$$$$