
 OpenBabel04291915373D

 52 54  0  0  1  0  0  0  0  0999 V2000
    0.9584   -0.0817    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404   -0.0817    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118   -1.1272    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598   -1.1266    0.5506 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3091    0.2706   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -0.0822    0.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6821    0.5006   -0.2397 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476    1.6846   -0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    2.5232   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    1.9145   -0.9262 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9987    3.1307   -1.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5187    3.1313   -1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0254    4.4200   -2.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4527    0.9345   -0.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9177    0.1011   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3038    1.5350    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394    1.0032    0.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8674    2.7256    1.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898   -2.2518    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613   -3.2973    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898   -4.3432    2.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911   -4.3437    2.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.3326    1.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469   -2.2523    1.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -5.4969    2.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057   -6.1122    1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -5.0258    3.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431   -6.5361    3.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775   -5.9977    4.1264 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -6.9483    2.1736 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -7.5715    3.6860 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    0.3600    0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -1.0880   -0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    0.4828   -0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3218   -0.1720    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413    3.9665   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    3.2018   -2.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8761    2.2955   -2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747    3.0603   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2453    4.5570   -3.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3541    5.4334   -2.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4059    3.1544    1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    3.1361    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933   -3.2969    1.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -3.3594    1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -1.4625    0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913   -6.4439    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407   -6.9452    2.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011   -5.3807    1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -4.5927    4.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   -4.2943    3.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5387   -5.8588    4.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 25  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <SKU>
A11328

>  <Product Name>
BYL719 (Alpelisib)

>  <CAS>
1217486-61-7

>  <M.Wt>
441.4704896

>  <Formula>
C19H22F3N5O2S

>  <Synonyms>
BYL-719

>  <URL>
https://www.adooq.com/byl719.html

$$$$
