Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H22N4O3.CH4O3S |
Molecular Weight | 450.509 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC(CC2=C(N)N=C(N)N=C2)=C3C=CC(OC3=C1OC)C4CC4
InChI
InChIKey=BQCQVDMEHSONNK-UHFFFAOYSA-N
InChI=1S/C19H22N4O3.CH4O3S/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2;1-5(2,3)4/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23);1H3,(H,2,3,4)
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 |
Molecular Formula | C19H22N4O3 |
Molecular Weight | 354.403 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:31:27 UTC 2023
by
admin
on
Fri Dec 15 16:31:27 UTC 2023
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Record UNII |
7U972CJ5AT
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Record Status |
Validated (UNII)
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Record Version |
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-
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7U972CJ5AT
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24785689
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100000092701
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C167047
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DBSALT002008
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m6196
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admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
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SUB28993
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474793-41-4
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DTXSID10963854
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CHEMBL134561
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UU-22
Created by
admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |