Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H22N4O5.CH4O3S |
Molecular Weight | 494.518 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1
InChI
InChIKey=FSEKIHNIDBATFG-UHFFFAOYSA-N
InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
Molecular Formula | C20H22N4O5 |
Molecular Weight | 398.4125 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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 15:42:12 UTC 2023
by
admin
on
Fri Dec 15 15:42:12 UTC 2023
|
Record UNII |
451M50A1EQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C783
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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Code System | Code | Type | Description | ||
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SUB01007MIG
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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C96364
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admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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m3000
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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PRIMARY | Merck Index | ||
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31347
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DTXSID0020238
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100000084866
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admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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CHEMBL590799
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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43071
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admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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59721-29-8
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admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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451M50A1EQ
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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DBSALT002914
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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C034532
Created by
admin on Fri Dec 15 15:42:12 UTC 2023 , Edited by admin on Fri Dec 15 15:42:12 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |