
 CHEMBL572422

 33 33  0  0  0  0  0  0  0  0999 V2000
    5.5376    6.4371    3.9219 C   0  0  0  0  0
    5.0625    5.4351    3.1788 C   0  0  0  0  0
    3.7090    5.2515    2.9801 N   0  0  0  0  0
    2.7641    6.1096    3.5374 C   0  0  0  0  0
    1.5488    5.9767    3.4134 O   0  0  0  0  0
    3.2715    7.1529    4.2669 N   0  0  0  0  0
    4.5889    7.3794    4.5351 C   0  0  0  0  0
    4.9803    8.3003    5.2417 O   0  0  0  0  0
    3.2393    4.1077    2.1955 C   0  0  0  0  0
    2.7302    4.5123    0.8082 C   0  0  0  0  0
    2.2673    3.2875    0.0149 C   0  0  0  0  0
    1.6255    3.6890   -1.3166 C   0  0  0  0  0
    1.1868    2.4777   -2.1338 C   0  0  0  0  0
    0.1938    1.7576   -1.4247 O   0  0  0  0  0
   -0.3595    0.4241   -2.1117 P   0  0  0  0  0
   -0.9263    0.5464   -3.4815 O   0  0  0  0  0
    0.8379   -0.6221   -1.9801 O   0  0  0  0  0
   -1.3927   -0.1345   -1.0319 O   0  0  0  0  0
    6.5914    6.5951    4.1062 H   0  0  0  0  0
    5.7370    4.7209    2.7161 H   0  0  0  0  0
    2.6004    7.7784    4.6831 H   0  0  0  0  0
    2.4308    3.6238    2.7573 H   0  0  0  0  0
    4.0470    3.3717    2.1004 H   0  0  0  0  0
    3.5225    5.0345    0.2581 H   0  0  0  0  0
    1.8983    5.2196    0.9066 H   0  0  0  0  0
    3.1245    2.6295   -0.1728 H   0  0  0  0  0
    1.5473    2.7168    0.6137 H   0  0  0  0  0
    2.3326    4.2840   -1.9056 H   0  0  0  0  0
    0.7509    4.3184   -1.1108 H   0  0  0  0  0
    2.0411    1.8233   -2.3373 H   0  0  0  0  0
    0.7685    2.8108   -3.0894 H   0  0  0  0  0
    0.5871   -1.4810   -2.3632 H   0  0  0  0  0
   -2.2268    0.3680   -1.0548 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL572422

>  <PubChem CID>
45481777

>  <Formula>
C9H15N2O6P

>  <Molecular Weight>
278.201000

>  <IUPAC Name>
5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate

>  <XlogP>
-1.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)CCCCCOP(=O)(O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)CCCCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C9H15N2O6P/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-17-18(14,15)16/h4,6H,1-3,5,7H2,(H,10,12,13)(H2,14,15,16)

>  <InChI Key>
GDPLEAVRHZGCQA-UHFFFAOYSA-N

