-ISIS-  08091621332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.4333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
  6 10  1  0  0  0  0
  5  3  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ID> (BBL000113)
BBL000113

>  <Rotatable_Bonds> (BBL000113)
1

>  <logP> (BBL000113)
1.006

>  <PSA> (BBL000113)
82.01

>  <H_Donors> (BBL000113)
2

>  <H_Acceptors> (BBL000113)
2

>  <Number_of_rings> (BBL000113)
3

>  <NAME> (BBL000113)
2-amino-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one

>  <Mol_Weight> (BBL000113)
229.24

>  <Mol_Formula> (BBL000113)
C12H11N3O2

>  <Smiles> (BBL000113)
Nc1ncc2c(n1)CC(CC2=O)c1ccco1

>  <CAS_Number> (BBL000113)
299442-43-6

>  <Alternative_identifier> (BBL000113)
MFCD02026323

$$$$