-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0083    0.0083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.5083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.0000    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  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  6  5  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <ID> (BBL000469)
BBL000469

>  <Rotatable_Bonds> (BBL000469)
3

>  <logP> (BBL000469)
2.797

>  <PSA> (BBL000469)
49.41

>  <H_Donors> (BBL000469)
1

>  <H_Acceptors> (BBL000469)
2

>  <Number_of_rings> (BBL000469)
2

>  <NAME> (BBL000469)
3-(3-methylbutyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000469)
232.28

>  <Mol_Formula> (BBL000469)
C13H16N2O2

>  <Smiles> (BBL000469)
CC(CCn1c(=O)[nH]c2c(c1=O)cccc2)C

>  <Alternative_identifier> (BBL000469)
MFCD16629917

$$$$