Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H28N6O3S.CH4O3S |
Molecular Weight | 552.667 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(NS(C)(=O)=O)=C4
InChI
InChIKey=MEPNHSOMXMALDZ-UHFFFAOYSA-N
InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C97453
Created by
admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
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Code System | Code | Type | Description | ||
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100000088391
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7162
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4379
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SUB01575MIG
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441386
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DBSALT000038
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421105KRQE
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147221-93-0
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DTXSID701017136
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admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
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m4152
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admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
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C28974
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142152
Created by
admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
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CHEMBL593
Created by
admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD