-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.7333   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <ID> (BBL000654)
BBL000654

>  <Rotatable_Bonds> (BBL000654)
3

>  <logP> (BBL000654)
-0.925

>  <PSA> (BBL000654)
104.78

>  <H_Donors> (BBL000654)
4

>  <H_Acceptors> (BBL000654)
3

>  <Number_of_rings> (BBL000654)
1

>  <NAME> (BBL000654)
(2-amino-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid

>  <Mol_Weight> (BBL000654)
169.14

>  <Mol_Formula> (BBL000654)
C6H7N3O3

>  <Smiles> (BBL000654)
Nc1ncc(c(=O)[nH]1)CC(=O)O

>  <CAS_Number> (BBL000654)
85301-38-8

>  <Alternative_identifier> (BBL000654)
MFCD08753718

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