Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H19N5O2.C2H6O4S |
| Molecular Weight | 451.497 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCS(O)(=O)=O.CCOC(=O)NC1=NC(N)=C2N=C([C@H](C)NC2=C1)C3=CC=CC=C3
InChI
InChIKey=JEFPWOBULVSOTM-PPHPATTJSA-N
InChI=1S/C17H19N5O2.C2H6O4S/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11;3-1-2-7(4,5)6/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23);3H,1-2H2,(H,4,5,6)/t10-;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C67421
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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| Code System | Code | Type | Description | ||
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635370
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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182762
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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C1357
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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8J08028R66
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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HH-92
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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C072383
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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126268-81-3
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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DTXSID50155130
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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CHEMBL1233800
Created by
admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD