Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H12N4O4S |
| Molecular Weight | 320.324 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(NOS(O)(=O)=O)=NC2=C1C=C(C=N2)C3=CC=CC=C3
InChI
InChIKey=LPVOGSWZCYNQGE-UHFFFAOYSA-N
InChI=1S/C13H12N4O4S/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-21-22(18,19)20/h2-8H,1H3,(H,14,15,16)(H,18,19,20)
| Molecular Formula | C13H12N4O4S |
| Molecular Weight | 320.324 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:41:45 GMT 2025
by
admin
on
Wed Apr 02 14:41:45 GMT 2025
|
| Record UNII |
FP2RS8X767
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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FP2RS8X767
Created by
admin on Wed Apr 02 14:41:45 GMT 2025 , Edited by admin on Wed Apr 02 14:41:45 GMT 2025
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71448983
Created by
admin on Wed Apr 02 14:41:45 GMT 2025 , Edited by admin on Wed Apr 02 14:41:45 GMT 2025
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1704713-21-2
Created by
admin on Wed Apr 02 14:41:45 GMT 2025 , Edited by admin on Wed Apr 02 14:41:45 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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Putative mutagenic metabolite. Reacts with DNA.
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