N-Methyl-8-[(1S)-1-methyl-2-[(2′-methyl[4,5′-bipyrimidin]-6-yl-4′,6′-d2)amino...
C23H21D2N7O
1476074-39-1 Copyright (C) 2024 ACS
 33 36  0  0  1  0  0  0  0  0999 V2000
   12.0033    3.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    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
    9.3360    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.0801    0.0000 N   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
    5.3348    5.3901    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.7700    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 32  1  0  0  0  0
 28 30  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  ISO  2  32   2  33   2
M  END
> <cas.rn>
1476074-39-1

> <cas.index.name>
4-Quinolinecarboxamide, N-methyl-8-[(1S)-1-methyl-2-[(2′-methyl[4,5′-bipyrimidin]-6-yl-4′,6′-d2)amino]ethyl]-

> <molecular.formula>
C23H21D2N7O

> <molecular.weight>
415.49

> <boiling.point.predicted>
742.797±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.270±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.886±0.46    Most Acidic Temp: 25 °C

$$$$
