N-[1-[8-[[3-Methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl]amino]pyrimid...
C29H29N9O2
2728667-27-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  40 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 10.9072 4.0011 0.0 0
M  V30 2 C 6.2872 1.3336 0.0 0
M  V30 3 O 4.7472 4.0011 0.0 0
M  V30 4 N 18.6072 9.3358 0.0 0
M  V30 5 C 20.1472 9.3358 0.0 0
M  V30 6 C 20.9172 10.6694 0.0 0
M  V30 7 O 20.9172 8.0021 0.0 0
M  V30 8 C 22.4572 10.6694 0.0 0
M  V30 9 C 1.7270 10.6528 0.0 0
M  V30 10 C 13.2172 2.6673 0.0 0
M  V30 11 C 11.6772 2.6673 0.0 0
M  V30 12 C 13.9872 1.3336 0.0 0
M  V30 13 N 13.9872 4.0011 0.0 0
M  V30 14 N 10.9072 1.3336 0.0 0
M  V30 15 C 15.5272 1.3336 0.0 0
M  V30 16 N 13.2172 0.0000 0.0 0
M  V30 17 C 15.5272 4.0011 0.0 0
M  V30 18 C 11.6772 0.0000 0.0 0
M  V30 19 N 16.2972 2.6673 0.0 0
M  V30 20 C 9.3672 4.0011 0.0 0
M  V30 21 C 8.5972 2.6673 0.0 0
M  V30 22 C 8.5972 5.3347 0.0 0
M  V30 23 C 7.0572 2.6673 0.0 0
M  V30 24 C 7.0572 5.3347 0.0 0
M  V30 25 C 6.2872 4.0011 0.0 0
M  V30 26 N 16.2972 5.3347 0.0 0
M  V30 27 C 17.8372 5.3347 0.0 0
M  V30 28 C 15.5272 6.6684 0.0 0
M  V30 29 C 18.6072 6.6684 0.0 0
M  V30 30 C 16.2972 8.0021 0.0 0
M  V30 31 C 17.8372 8.0021 0.0 0
M  V30 32 C 3.9772 5.3347 0.0 0
M  V30 33 C 2.4372 5.3347 0.0 0
M  V30 34 C 4.7472 6.6684 0.0 0
M  V30 35 C 1.6672 6.6684 0.0 0
M  V30 36 C 3.9772 8.0021 0.0 0
M  V30 37 C 2.4372 8.0021 0.0 0
M  V30 38 N 0.1609 6.9885 0.0 0
M  V30 39 N 1.4068 9.1465 0.0 0
M  V30 40 C 0.0000 8.5202 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 11
M  V30 2 1 1 20
M  V30 3 1 2 23
M  V30 4 1 3 25
M  V30 5 1 3 32
M  V30 6 1 4 5
M  V30 7 1 4 31
M  V30 8 1 5 6
M  V30 9 2 5 7
M  V30 10 2 6 8
M  V30 11 1 9 39
M  V30 12 1 10 11
M  V30 13 2 10 12
M  V30 14 1 10 13
M  V30 15 2 11 14
M  V30 16 1 12 15
M  V30 17 1 12 16
M  V30 18 2 13 17
M  V30 19 1 14 18
M  V30 20 2 15 19
M  V30 21 2 16 18
M  V30 22 1 17 19
M  V30 23 1 17 26
M  V30 24 2 20 21
M  V30 25 1 20 22
M  V30 26 1 21 23
M  V30 27 2 22 24
M  V30 28 2 23 25
M  V30 29 1 24 25
M  V30 30 1 26 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 1 29 31
M  V30 35 1 30 31
M  V30 36 1 32 33
M  V30 37 2 32 34
M  V30 38 2 33 35
M  V30 39 1 34 36
M  V30 40 1 35 37
M  V30 41 1 35 38
M  V30 42 2 36 37
M  V30 43 1 37 39
M  V30 44 2 38 40
M  V30 45 1 39 40
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2728667-27-2

> <cas.index.name>
2-Propenamide, N-[1-[8-[[3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl]amino]pyrimido[5,4-d]pyrimidin-2-yl]-4-piperidinyl]-

> <molecular.formula>
C29H29N9O2

> <molecular.weight>
535.60

> <density.predicted>
1.39±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.16±0.20    Most Acidic Temp: 25 °C

$$$$
