
 OpenBabel04291915493D

 54 56  0  0  0  0  0  0  0  0999 V2000
   -1.2829   -1.6413   -3.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967   -1.1358   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984   -0.5618   -1.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981   -0.5628   -1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8696   -0.0108   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0118   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8839    0.5402    1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    1.0957    2.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224    1.0967    2.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800    1.7547    0.9706 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -0.1564    2.0024 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    1.6927    3.1416 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269    0.5392    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8696   -1.1158   -2.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -1.1348   -2.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914   -0.5598   -1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343   -0.5588   -1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0058   -0.0058   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3487   -0.0048   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9981    0.5300    0.9732 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3199   -0.0078   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709   -0.0088   -0.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964    0.5457    1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465    0.5448    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    1.0968    2.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609    1.0958    2.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    1.6478    3.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9679    1.0987    2.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499    1.0998    2.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555    1.8519    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576   -0.3323    1.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9566    1.7810    3.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -0.1564   -0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    0.4141    0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285   -0.4368   -0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    0.7304    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447   -1.6024   -2.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7854   -1.5395   -2.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8503   -0.9830   -1.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4898    0.4184    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8647   -0.4290   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.1198    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019    1.5217    2.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769    0.6708    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571    1.9418    3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981    2.8600    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0255    1.8527    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5989    1.3724   -0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017   -0.8617    2.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009   -0.8118    1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0276   -0.3315    1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6006    1.2516    4.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0266    1.7818    3.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992    2.7891    3.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
>  <SKU>
A16952

>  <Product Name>
BPTU

>  <CAS>
870544-59-5

>  <M.Wt>
445.4342896

>  <Formula>
C23H22F3N3O3

>  <Synonyms>
BMS-646786, BMS 646786, BMS646786

>  <URL>
https://www.adooq.com/bptu.html

$$$$
