rel-6-(2,6-Dichlorophenyl)-8,9-dihydro-2-[[3-methyl-4-[(3R,5S)-3,4,5-trimethy...
C28H30Cl2N8O
2226938-19-6 Copyright (C) 2024 ACS
 39 44  0  0  0  0  0  0  0  0999 V2000
    5.3348    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3381    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0056    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0056    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    7.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0146    8.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3381    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3381    1.5400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6719    3.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.6719    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 28  1  0  0  0  0
  5 31  1  0  0  0  0
 37  6  1  1  0  0  0
 38  7  1  1  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <cas.rn>
2226938-19-6

> <cas.index.name>
Imidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-one, 6-(2,6-dichlorophenyl)-8,9-dihydro-2-[[3-methyl-4-[(3R,5S)-3,4,5-trimethyl-1-piperazinyl]phenyl]amino]-, rel-

> <molecular.formula>
C28H30Cl2N8O

> <molecular.weight>
565.50

> <boiling.point.predicted>
723.758±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.465±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.931±0.42    Most Basic Temp: 25 °C

$$$$
