1,5-Dihydro-2-imino-10-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-1-[2-...
C26H31N7O2S
2136270-56-7 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.6201 5.1047 0.0 0
M  V30 2 C 5.3901 3.7711 0.0 0
M  V30 3 O 5.3901 11.7732 0.0 0
M  V30 4 N 7.7002 5.1047 0.0 0
M  V30 5 C 9.2402 7.7722 0.0 0
M  V30 6 N 10.0102 9.1059 0.0 0
M  V30 7 O 10.0102 6.4384 0.0 0
M  V30 8 C 11.5503 9.1059 0.0 0
M  V30 9 C 12.3203 10.4396 0.0 0
M  V30 10 C 0.0000 7.7721 0.0 0
M  V30 11 C 18.4804 10.4396 0.0 0
M  V30 12 C 4.6201 7.7722 0.0 0
M  V30 13 C 5.3901 9.1059 0.0 0
M  V30 14 N 5.3901 6.4384 0.0 0
M  V30 15 N 3.0801 7.7722 0.0 0
M  V30 16 C 4.6201 10.4396 0.0 0
M  V30 17 C 6.9302 9.1059 0.0 0
M  V30 18 C 6.9302 6.4384 0.0 0
M  V30 19 C 2.3101 9.1059 0.0 0
M  V30 20 N 3.0801 10.4396 0.0 0
M  V30 21 C 7.7002 7.7722 0.0 0
M  V30 22 C 0.7700 9.1059 0.0 0
M  V30 23 C 2.3101 11.7732 0.0 0
M  V30 24 C 0.0000 10.4396 0.0 0
M  V30 25 C 0.7700 11.7732 0.0 0
M  V30 26 C 4.6201 2.4373 0.0 0
M  V30 27 C 5.2464 1.0304 0.0 0
M  V30 28 S 3.0885 2.2763 0.0 0
M  V30 29 C 4.1020 0.0000 0.0 0
M  V30 30 C 2.7684 0.7700 0.0 0
M  V30 31 N 13.8603 10.4396 0.0 0
M  V30 32 C 14.6303 9.1059 0.0 0
M  V30 33 C 14.6303 11.7732 0.0 0
M  V30 34 C 16.1704 9.1059 0.0 0
M  V30 35 C 16.1704 11.7732 0.0 0
M  V30 36 N 16.9404 10.4396 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 14
M  V30 3 1 2 26
M  V30 4 2 3 16
M  V30 5 2 4 18
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 21
M  V30 9 1 6 8
M  V30 10 1 8 9
M  V30 11 1 9 31
M  V30 12 1 10 22
M  V30 13 1 11 36
M  V30 14 2 12 13
M  V30 15 1 12 14
M  V30 16 1 12 15
M  V30 17 1 13 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 2 15 19
M  V30 21 1 16 20
M  V30 22 2 17 21
M  V30 23 1 18 21
M  V30 24 1 19 20
M  V30 25 1 19 22
M  V30 26 1 20 23
M  V30 27 2 22 24
M  V30 28 2 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 1 28 30
M  V30 34 2 29 30
M  V30 35 1 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 1 34 36
M  V30 40 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2136270-56-7

> <cas.index.name>
2H-Dipyrido[1,2-a:2′,3′-d]pyrimidine-3-carboxamide, 1,5-dihydro-2-imino-10-methyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-1-[2-(2-thienyl)ethyl]-

> <molecular.formula>
C26H31N7O2S

> <molecular.weight>
505.64

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

> <pka.predicted>
11.77±0.20    Most Acidic Temp: 25 °C

$$$$
