-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8542   -0.2417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8542   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.2583    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
   -0.0083   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6042   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.2417    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  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
  6  5  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <ID> (BBL000434)
BBL000434

>  <Rotatable_Bonds> (BBL000434)
2

>  <logP> (BBL000434)
2.266

>  <PSA> (BBL000434)
49.41

>  <H_Donors> (BBL000434)
1

>  <H_Acceptors> (BBL000434)
2

>  <Number_of_rings> (BBL000434)
2

>  <NAME> (BBL000434)
3-(2-methylpropyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000434)
218.26

>  <Mol_Formula> (BBL000434)
C12H14N2O2

>  <Smiles> (BBL000434)
CC(Cn1c(=O)[nH]c2c(c1=O)cccc2)C

>  <Alternative_identifier> (BBL000434)
MFCD14703230

$$$$