-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4458    0.0083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4458   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.5083    0.0000 O   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
   -3.0333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.0125    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
   -3.9000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    0.5083    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 15  1  0  0  0  0
 15 12  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
 16 11  2  0  0  0  0
M  END
>  <ID> (BBL000466)
BBL000466

>  <Rotatable_Bonds> (BBL000466)
4

>  <logP> (BBL000466)
2.981

>  <PSA> (BBL000466)
49.41

>  <H_Donors> (BBL000466)
1

>  <H_Acceptors> (BBL000466)
2

>  <Number_of_rings> (BBL000466)
2

>  <NAME> (BBL000466)
3-pentylquinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000466)
232.28

>  <Mol_Formula> (BBL000466)
C13H16N2O2

>  <Smiles> (BBL000466)
CCCCCn1c(=O)[nH]c2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000466)
MFCD14728985

$$$$