2-(1,4-Dioxan-2-ylmethoxy)-6,7-dihydro-9-(2-pyridinylmethoxy)-4H-pyrimido[6,1...
C23H23N3O5
1445846-30-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.6200 9.3358 0.0 0
M  V30 2 O 4.6200 4.0011 0.0 0
M  V30 3 C 3.0800 4.0011 0.0 0
M  V30 4 O 13.8600 6.6684 0.0 0
M  V30 5 C 14.6300 5.3347 0.0 0
M  V30 6 C 7.7000 6.6684 0.0 0
M  V30 7 C 9.2400 6.6684 0.0 0
M  V30 8 N 6.9300 8.0021 0.0 0
M  V30 9 C 6.9300 5.3347 0.0 0
M  V30 10 C 10.0100 8.0021 0.0 0
M  V30 11 C 10.0100 5.3347 0.0 0
M  V30 12 C 7.7000 9.3358 0.0 0
M  V30 13 C 5.3900 8.0021 0.0 0
M  V30 14 C 5.3900 5.3347 0.0 0
M  V30 15 C 11.5500 8.0021 0.0 0
M  V30 16 C 9.2400 9.3358 0.0 0
M  V30 17 C 11.5500 5.3347 0.0 0
M  V30 18 N 4.6200 6.6684 0.0 0
M  V30 19 C 12.3200 6.6684 0.0 0
M  V30 20 C 2.3100 2.6674 0.0 0
M  V30 21 C 3.0800 1.3336 0.0 0
M  V30 22 O 0.7700 2.6674 0.0 0
M  V30 23 O 2.3100 0.0000 0.0 0
M  V30 24 C 0.0000 1.3336 0.0 0
M  V30 25 C 0.7700 0.0000 0.0 0
M  V30 26 C 16.1700 5.3347 0.0 0
M  V30 27 C 16.9400 6.6684 0.0 0
M  V30 28 N 16.9400 4.0011 0.0 0
M  V30 29 C 18.4800 6.6684 0.0 0
M  V30 30 C 18.4800 4.0011 0.0 0
M  V30 31 C 19.2500 5.3347 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 13
M  V30 2 1 2 3
M  V30 3 1 2 14
M  V30 4 1 3 20
M  V30 5 1 4 5
M  V30 6 1 4 19
M  V30 7 1 5 26
M  V30 8 1 6 7
M  V30 9 1 6 8
M  V30 10 2 6 9
M  V30 11 1 7 10
M  V30 12 2 7 11
M  V30 13 1 8 12
M  V30 14 1 8 13
M  V30 15 1 9 14
M  V30 16 2 10 15
M  V30 17 1 10 16
M  V30 18 1 11 17
M  V30 19 1 12 16
M  V30 20 1 13 18
M  V30 21 2 14 18
M  V30 22 1 15 19
M  V30 23 2 17 19
M  V30 24 1 20 21
M  V30 25 1 20 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 1 24 25
M  V30 30 2 26 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 2 28 30
M  V30 34 2 29 31
M  V30 35 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1445846-30-9

> <cas.index.name>
4H-Pyrimido[6,1-a]isoquinolin-4-one, 2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydro-9-(2-pyridinylmethoxy)-

> <molecular.formula>
C23H23N3O5

> <molecular.weight>
421.45

> <boiling.point.predicted>
628.2±65.0 °C    Press: 760 Torr

> <density.predicted>
1.38±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.98±0.12    Most Basic Temp: 25 °C

$$$$
