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
Sat Dec 16 19:17:14 GMT 2023
by
admin
on
Sat Dec 16 19:17:14 GMT 2023
|
Record UNII |
FP2RS8X767
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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FP2RS8X767
Created by
admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
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71448983
Created by
admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
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1704713-21-2
Created by
admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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Putative mutagenic metabolite. Reacts with DNA.
|