2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-[1-...
C29H32F3N7O2.CH4O3S
2226167-02-6 Copyright (C) 2025 ACS
 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1260    7.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7852    4.9607    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    4.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2771    6.7711    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   10.3705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219    8.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7555    8.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219   14.9905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882   15.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882   17.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   14.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   18.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0893   13.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4230   12.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0893   14.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7567   13.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0903   12.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4242   13.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0903   11.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   10.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   10.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586    8.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    9.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   12.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523    8.5187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   10.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306   12.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7534   11.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871   10.3705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7534   12.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4207   11.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871   13.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4207   12.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882   11.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219   10.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882   12.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7555   11.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219   13.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7555   12.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    1.5400    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.6721    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7521    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6 33  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 30  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 42 45  2  0  0  0  0
 42 46  1  0  0  0  0
M  END
> <cas.rn>
2226167-02-6

> <cas.index.name>
2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)-1H-indol-3-yl]-2-pyrimidinyl]amino]phenyl]-, compd. with methanesulfonate (1:1)

> <molecular.formula>
C29H32F3N7O2.CH4O3S

> <molecular.weight>
663.71

$$$$
