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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2O3S2
Molecular Weight 326.434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-2-(4,4,6-TRIMETHYL-2-THIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)BENZENESULFONIC ACID

SMILES

CC1=CC(=C(C=C1)N2C(=S)NC(C)(C)C=C2C)S(O)(=O)=O

InChI

InChIKey=LCXBJDAVBXBXBW-UHFFFAOYSA-N
InChI=1S/C14H18N2O3S2/c1-9-5-6-11(12(7-9)21(17,18)19)16-10(2)8-14(3,4)15-13(16)20/h5-8H,1-4H3,(H,15,20)(H,17,18,19)

HIDE SMILES / InChI

Molecular Formula C14H18N2O3S2
Molecular Weight 326.434
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 Sat Dec 16 12:38:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:16 GMT 2023
Record UNII
TQC71TKJ43
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-2-(4,4,6-TRIMETHYL-2-THIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)BENZENESULFONIC ACID
Systematic Name English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-1-(4-METHYL-2-SULFOPHENYL)-4,4,6-TRIMETHYL-
Systematic Name English
BENZENESULFONIC ACID, 2-(2-MERCAPTO-4,4,6-TRIMETHYL-1(4H)-PYRIMIDINYL)-5-METHYL-
Systematic Name English
BENZENESULFONIC ACID, 2-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-5-METHYL-
Systematic Name English
NSC-5821
Code English
Code System Code Type Description
CAS
6281-59-0
Created by admin on Sat Dec 16 12:38:16 GMT 2023 , Edited by admin on Sat Dec 16 12:38:16 GMT 2023
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NSC
5821
Created by admin on Sat Dec 16 12:38:16 GMT 2023 , Edited by admin on Sat Dec 16 12:38:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID60211913
Created by admin on Sat Dec 16 12:38:16 GMT 2023 , Edited by admin on Sat Dec 16 12:38:16 GMT 2023
PRIMARY
FDA UNII
TQC71TKJ43
Created by admin on Sat Dec 16 12:38:16 GMT 2023 , Edited by admin on Sat Dec 16 12:38:16 GMT 2023
PRIMARY
PUBCHEM
3034176
Created by admin on Sat Dec 16 12:38:16 GMT 2023 , Edited by admin on Sat Dec 16 12:38:16 GMT 2023
PRIMARY