Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C16H17N9O5S3.ClH |
| Molecular Weight | 1059.578 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C(O)=O.[H][C@]56SCC(CSC7=NN=NN7C)=C(N5C(=O)[C@H]6NC(=O)C(=N/OC)\C8=CSC(N)=N8)C(O)=O
InChI
InChIKey=MPTNDTIREFCQLK-UNVJPQNDSA-N
InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
Approval Year
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 16:35:28 UTC 2023 , Edited by admin on Fri Dec 15 16:35:28 UTC 2023
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| Code System | Code | Type | Description | ||
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C65296
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11954009
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SUB01117MIG
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760352
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m3196
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100000084984
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278-299-4
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NON736D32W
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DBSALT000801
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DTXSID0046646
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31370
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CHEMBL1201224
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75738-58-8
Created by
admin on Fri Dec 15 16:35:28 UTC 2023 , Edited by admin on Fri Dec 15 16:35:28 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD