-ISIS-  08091621332D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.8667    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  7  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <ID> (BBL018152)
BBL018152

>  <Rotatable_Bonds> (BBL018152)
2

>  <logP> (BBL018152)
-0.519

>  <PSA> (BBL018152)
84.39

>  <H_Donors> (BBL018152)
3

>  <H_Acceptors> (BBL018152)
1

>  <Number_of_rings> (BBL018152)
1

>  <NAME> (BBL018152)
Historical

>  <Mol_Weight> (BBL018152)
138.13

>  <Mol_Formula> (BBL018152)
C5H6N4O

>  <Smiles> (BBL018152)
N/C(=N\O)/c1cnccn1

>  <CAS_Number> (BBL018152)
51285-05-3

>  <Alternative_identifier> (BBL018152)
MFCD02258397

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