
 GNF-Pf-2272

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.0983   -0.0063    0.0043 C   0  0  0  0  0
    2.6003   -0.0621    0.0058 C   0  0  0  0  0
    3.1978   -1.2159    0.0094 N   0  0  0  0  0
    4.5667   -1.2199    0.0119 N   0  0  0  0  0
    5.3207   -0.0658    0.0092 C   0  0  0  0  0
    6.6099   -0.0117    0.0080 N   0  0  0  0  0
    7.3038    1.1679    0.0047 C   0  0  0  0  0
    8.5323    1.1396   -0.0017 O   0  0  0  0  0
    6.6228    2.3797    0.0077 N   0  0  0  0  0
    5.2472    2.4986    0.0042 C   0  0  0  0  0
    4.6246    3.5523   -0.0008 O   0  0  0  0  0
    4.5190    1.1908    0.0056 C   0  0  0  0  0
    3.2204    1.1622    0.0045 N   0  0  0  0  0
    7.3784    3.6181    0.0052 C   0  0  0  0  0
    5.1973   -2.5307    0.0127 C   0  0  0  0  0
    0.6740   -1.0140   -0.0079 H   0  0  0  0  0
    0.7552    0.5380   -0.8801 H   0  0  0  0  0
    0.7535    0.5172    0.9005 H   0  0  0  0  0
    8.4590    3.4586    0.0203 H   0  0  0  0  0
    7.0942    4.2083    0.8828 H   0  0  0  0  0
    7.1158    4.1898   -0.8911 H   0  0  0  0  0
    4.4532   -3.3349    0.0214 H   0  0  0  0  0
    5.8291   -2.6496    0.8989 H   0  0  0  0  0
    5.8162   -2.6566   -0.8817 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 20  1  0  0  0
 14 21  1  0  0  0
 15 22  1  0  0  0
 15 23  1  0  0  0
 15 24  1  0  0  0
M  END

>  <Chemical Name>
GNF-Pf-2272

>  <PubChem CID>
460747

>  <Formula>
C8H9N5O2

>  <Molecular Weight>
207.193000

>  <IUPAC Name>
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

>  <XlogP>
-0.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)C

>  <Isomeric SMILES>
CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)C

>  <InChI Std. ID>
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3

>  <InChI Key>
CPXHNWKHOFNPDO-UHFFFAOYSA-N

