7-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-3-(3-fluorophenyl)pyrimido[4,5-d]pyri...
C22H20FN5O4
1326852-06-5 Copyright (C) 2024 ACS
 32 35  0  0  0  0  0  0  0  0999 V2000
   13.3372    6.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    3.8501    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0033    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0045    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
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 31 32  1  0  0  0  0
M  END
> <cas.rn>
1326852-06-5

> <cas.index.name>
Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-fluorophenyl)-

> <molecular.formula>
C22H20FN5O4

> <molecular.weight>
437.42

> <boiling.point.predicted>
605.196±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.408±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-1.929±0.20    Most Basic Temp: 25 °C

$$$$
