α-[2-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-α...
C19H16ClN5OS
1202764-53-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.3401 4.0010 0.0 0
M  V30 2 C 9.1101 2.6673 0.0 0
M  V30 3 C 9.8801 1.3337 0.0 0
M  V30 4 C 8.5464 0.5637 0.0 0
M  V30 5 O 10.6501 0.0000 0.0 0
M  V30 6 Cl 0.8242 7.9404 0.0 0
M  V30 7 N 2.1051 1.9149 0.0 0
M  V30 8 C 5.2600 6.6685 0.0 0
M  V30 9 N 3.7535 6.9887 0.0 0
M  V30 10 C 6.0300 8.0022 0.0 0
M  V30 11 C 6.0300 5.3348 0.0 0
M  V30 12 C 3.5926 8.5202 0.0 0
M  V30 13 C 4.9996 9.1466 0.0 0
M  V30 14 C 7.5700 8.0022 0.0 0
M  V30 15 C 7.5700 5.3348 0.0 0
M  V30 16 C 8.3401 6.6685 0.0 0
M  V30 17 C 2.6091 5.9582 0.0 0
M  V30 18 C 1.1444 6.4341 0.0 0
M  V30 19 N 2.9293 4.4518 0.0 0
M  V30 20 C 0.0000 5.4035 0.0 0
M  V30 21 C 1.7849 3.4213 0.0 0
M  V30 22 N 0.3202 3.8972 0.0 0
M  V30 23 C 11.2138 2.1037 0.0 0
M  V30 24 N 11.3747 3.6352 0.0 0
M  V30 25 S 12.6207 1.4772 0.0 0
M  V30 26 C 12.8812 3.9554 0.0 0
M  V30 27 C 13.6512 2.6218 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 3 1 2
M  V30 2 1 1 15
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 5
M  V30 6 1 3 23
M  V30 7 1 6 18
M  V30 8 1 7 21
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 2 8 11
M  V30 12 1 9 12
M  V30 13 1 9 17
M  V30 14 1 10 13
M  V30 15 2 10 14
M  V30 16 1 11 15
M  V30 17 1 12 13
M  V30 18 1 14 16
M  V30 19 2 15 16
M  V30 20 1 17 18
M  V30 21 2 17 19
M  V30 22 2 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 2 21 22
M  V30 26 2 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 2 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1202764-53-1

> <cas.index.name>
2-Thiazolemethanol, α-[2-[1-(2-amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-α-methyl-

> <molecular.formula>
C19H16ClN5OS

> <molecular.weight>
397.88

> <boiling.point.predicted>
644.4±65.0 °C    Press: 760 Torr

> <density.predicted>
1.53±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.71±0.29    Most Acidic Temp: 25 °C

$$$$
