Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H16N7O5S3.Na |
| Molecular Weight | 493.516 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C([O-])=O
InChI
InChIKey=BITQGIOJQWZUPL-PBCQUBLHSA-M
InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 16:17:02 UTC 2023 , Edited by admin on Fri Dec 15 16:17:02 UTC 2023
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| Code System | Code | Type | Description | ||
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SUB01118MIG
Created by
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DTXSID5045590
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CHEMBL1201195
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100000084966
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DBSALT000391
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23666711
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203140
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m3197
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admin on Fri Dec 15 16:17:02 UTC 2023 , Edited by admin on Fri Dec 15 16:17:02 UTC 2023
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Z-5
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37Y9VR4W7A
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3490
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758171
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56796-39-5
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C65298
Created by
admin on Fri Dec 15 16:17:02 UTC 2023 , Edited by admin on Fri Dec 15 16:17:02 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD