-ISIS-  08091621332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.3042    0.5833    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.5792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -1.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8167   -2.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1417    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -1.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -2.0167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  4  1  0  0  0  0
 21 10  1  0  0  0  0
  9  3  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <ID> (BBL002243)
BBL002243

>  <SALTDATA> (BBL002243)
HCl

>  <Rotatable_Bonds> (BBL002243)
4

>  <logP> (BBL002243)
-1.876

>  <PSA> (BBL002243)
108.38

>  <H_Donors> (BBL002243)
4

>  <H_Acceptors> (BBL002243)
4

>  <Number_of_rings> (BBL002243)
2

>  <NAME> (BBL002243)
4-amino-1-(2-deoxypentofuranosyl)pyrimidin-2(1H)-one

>  <Mol_Weight> (BBL002243)
227.22

>  <Mol_Formula> (BBL002243)
C9H13N3O4

>  <Smiles> (BBL002243)
OCC1OC(CC1O)n1ccc(nc1=O)N

>  <Alternative_identifier> (BBL002243)
MFCD00066875

$$$$