Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H19ClN6O2S.2C7H8O3S |
Molecular Weight | 811.347 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.C[C@@H]3COC(NC4=CC=C5N=CN=C(NC6=CC(Cl)=C(OCC7=NC=CS7)C=C6)C5=C4)=N3
InChI
InChIKey=QSUPQMGDXOHVLK-FFXKMJQXSA-N
InChI=1S/C22H19ClN6O2S.2C7H8O3S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28);2*2-5H,1H3,(H,8,9,10)/t13-;;/m1../s1
Molecular Formula | C22H19ClN6O2S |
Molecular Weight | 466.943 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:54:48 UTC 2023
by
admin
on
Fri Dec 15 15:54:48 UTC 2023
|
Record UNII |
V4M8FWS152
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C2167
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
||
|
NCI_THESAURUS |
C129825
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
300000044477
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
CHEMBL2103842
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
44225877
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
C95226
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
UU-44
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
V4M8FWS152
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY | |||
|
1146629-86-8
Created by
admin on Fri Dec 15 15:54:48 UTC 2023 , Edited by admin on Fri Dec 15 15:54:48 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |