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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N4O4S
Molecular Weight 296.302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-Diamino-4-pyrimidinyl p-toluenesulfonate 3-oxide

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(N)=[N+]([O-])C(N)=C2

InChI

InChIKey=SXIUYERFFIKRTI-UHFFFAOYSA-N
InChI=1S/C11H12N4O4S/c1-7-2-4-8(5-3-7)20(17,18)19-10-6-9(12)15(16)11(13)14-10/h2-6H,12H2,1H3,(H2,13,14)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Pyrimidinol, 2,6-diamino-, 4-(4-methylbenzenesulfonate) 1-oxide
Preferred Name English
2,6-Diamino-4-pyrimidinyl p-toluenesulfonate 3-oxide
Systematic Name English
6-Tosyloxy-2,4-diaminopyrimidine 3-oxide
Systematic Name English
4-Pyrimidinol, 2,6-diamino-, 4-methylbenzenesulfonate (ester), 1-oxide
Systematic Name English
6-amino-2-imino-4-(tosyloxy)-2,3-dihydropyrimidine 1-oxide
Systematic Name English
6-[[(4-methylphenyl)sulfonyl]oxy]pyrimidine-2,4-diamine 3-oxide
Systematic Name English
Code System Code Type Description
CAS
75105-16-7
Created by admin on Wed Apr 02 17:32:47 GMT 2025 , Edited by admin on Wed Apr 02 17:32:47 GMT 2025
PRIMARY
FDA UNII
2V3BWH43UP
Created by admin on Wed Apr 02 17:32:47 GMT 2025 , Edited by admin on Wed Apr 02 17:32:47 GMT 2025
PRIMARY
NIH
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