Mol:COX00001

2151 
  CDK    9/16/09,16:56 
 
 28 29  0  0  0  0  0  0  0  0999 V2000 
    5.5201    0.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    0.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601    0.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2601    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6723    2.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6261   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8940   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6261   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8940   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8084    0.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4103    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1916   -0.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1707    2.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3079    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1739    2.7552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1630   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3571   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4645    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5957    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1630   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3571   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 24  1  0  0  0  0 
  4 25  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
  9 16  1  0  0  0  0 
  9 17  1  0  0  0  0 
  9 18  1  0  0  0  0 
 10 19  1  0  0  0  0 
 10 20  1  0  0  0  0 
 10 21  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 22  1  0  0  0  0 
 12 14  2  0  0  0  0 
 12 23  1  0  0  0  0 
 13 15  2  0  0  0  0 
 13 26  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 27  1  0  0  0  0 
 15 28  1  0  0  0  0 
S  SKP  6 
NAME	4_Aminoantipyrine 
ID	COX00001 
FORMULA	C11H13N3O 
EXACTMASS	203.105862053 
AVERAGEMASS	203.24054 
SMILES	[H]N([H])C(C(=O)1)=C(C([H])([H])[H])N(C([H])([H])[H])N1c(c([H])2)c([H])c([H])c([H])c([H])2 
M  END