
C19H21N7O3S
2745060-92-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.0000 3.3420 0.0 0
M  V30 2 N 8.4851 5.1455 0.0 0
M  V30 3 S 14.6452 5.1455 0.0 0 VAL=6
M  V30 4 N 16.1852 5.1455 0.0 0
M  V30 5 O 14.6452 3.6055 0.0 0
M  V30 6 O 14.6452 6.6855 0.0 0
M  V30 7 C 2.6528 3.0631 0.0 0
M  V30 8 N 3.8987 2.1579 0.0 0
M  V30 9 C 1.2460 2.4368 0.0 0
M  V30 10 C 1.4070 3.9683 0.0 0
M  V30 11 C 4.0596 3.6896 0.0 0
M  V30 12 C 5.4051 2.4782 0.0 0
M  V30 13 C 3.7378 0.6263 0.0 0
M  V30 14 N 1.0849 0.9052 0.0 0
M  V30 15 C 1.5679 5.4998 0.0 0
M  V30 16 C 4.2207 5.2211 0.0 0
M  V30 17 C 6.1751 1.1444 0.0 0
M  V30 18 N 6.1751 3.8118 0.0 0
M  V30 19 C 5.1446 0.0000 0.0 0
M  V30 20 N 2.3308 0.0000 0.0 0
M  V30 21 C 2.9748 6.1263 0.0 0
M  V30 22 C 7.7151 1.1444 0.0 0
M  V30 23 C 7.7151 3.8118 0.0 0
M  V30 24 N 8.4851 2.4782 0.0 0
M  V30 25 C 10.0251 5.1455 0.0 0
M  V30 26 C 10.7951 3.8118 0.0 0
M  V30 27 C 10.7951 6.4791 0.0 0
M  V30 28 C 12.3352 3.8118 0.0 0
M  V30 29 C 12.3352 6.4791 0.0 0
M  V30 30 C 13.1052 5.1455 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 9
M  V30 2 1 2 23
M  V30 3 1 2 25
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 2 3 6
M  V30 7 1 3 30
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 11
M  V30 12 1 8 12
M  V30 13 1 8 13
M  V30 14 1 9 14
M  V30 15 1 10 15
M  V30 16 1 11 16
M  V30 17 1 12 17
M  V30 18 2 12 18
M  V30 19 2 13 19
M  V30 20 1 13 20
M  V30 21 1 14 20
M  V30 22 1 15 21
M  V30 23 1 16 21
M  V30 24 1 17 19
M  V30 25 2 17 22
M  V30 26 1 18 23
M  V30 27 1 22 24
M  V30 28 2 23 24
M  V30 29 2 25 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 2 27 29
M  V30 33 2 28 30
M  V30 34 1 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2745060-92-6

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C19H21N7O3S

> <molecular.weight>
427.48

> <density.predicted>
1.71±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.85±0.12    Most Acidic Temp: 25 °C

$$$$
