-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8708   -0.2458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8708   -1.2458    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
   -0.8583   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -1.7458    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
    1.7333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.2583    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  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
  5  6  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <ID> (BBL000427)
BBL000427

>  <Rotatable_Bonds> (BBL000427)
2

>  <logP> (BBL000427)
1.684

>  <PSA> (BBL000427)
49.41

>  <H_Donors> (BBL000427)
1

>  <H_Acceptors> (BBL000427)
2

>  <Number_of_rings> (BBL000427)
2

>  <NAME> (BBL000427)
3-(prop-2-en-1-yl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000427)
202.21

>  <Mol_Formula> (BBL000427)
C11H10N2O2

>  <Smiles> (BBL000427)
C=CCn1c(=O)[nH]c2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000427)
MFCD14703302

$$$$