{[(4-amino-2-methylpyrimidin-5-yl)methyl phosphonato]oxy}phosphonate
  CDK    2/12/10,15:27

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.3842   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -0.0687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -1.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303    1.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447    0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7592    1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8132   -0.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421   -0.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6710   -0.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566   -1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566   -0.4812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566    0.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -0.4812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 17  1  0  0  0  0 
 17 11  1  0  0  0  0 
 11 15  1  0  0  0  0 
 15 12  1  0  0  0  0 
 15 13  2  0  0  0  0 
 17 14  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  CHG  1  12  -1
M  CHG  1  16  -1
M  CHG  1  18  -1
M  END
> <ID>
CHEBI:57841

> <NAME>
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3-)

> <DEFINITION>
Trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine trianion; 4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidine

> <IUPAC_NAME>
(4-amino-2-methylpyrimidin-5-yl)methyl diphosphate

> <FORMULA>
C6H8N3O7P2

> <MASS>
296.09110

> <MONOISOTOPIC_MASS>
295.98539

> <CHARGE>
-3

> <SMILES>
Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1

> <INCHI>
InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3

> <INCHIKEY>
AGQJQCFEPUVXNK-UHFFFAOYSA-K

> <BEILSTEIN_REGISTRY_NUMBER>
7229943

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