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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O3S2
Molecular Weight 362.466
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-MERCAPTO-4,4,6-TRIMETHYL-1(4H)-PYRIMIDINYL)-1-NAPHTHALENESULFONIC ACID

SMILES

CC1=CC(C)(C)NC(=S)N1C2=CC=C3C=CC=CC3=C2S(O)(=O)=O

InChI

InChIKey=KGKZFYGMRSMURX-UHFFFAOYSA-N
InChI=1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)14-9-8-12-6-4-5-7-13(12)15(14)24(20,21)22/h4-10H,1-3H3,(H,18,23)(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C17H18N2O3S2
Molecular Weight 362.466
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 12:54:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:19 GMT 2023
Record UNII
E138LT6GI8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-MERCAPTO-4,4,6-TRIMETHYL-1(4H)-PYRIMIDINYL)-1-NAPHTHALENESULFONIC ACID
Systematic Name English
NSC-5834
Code English
1-NAPHTHALENESULFONIC ACID, 2-(2-MERCAPTO-4,4,6-TRIMETHYL-1(4H)-PYRIMIDINYL)-
Systematic Name English
2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-1-(1-SULFO-2-NAPHTHYL)-4,4,6-TRIMETHYL-
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 2-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80211915
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
FDA UNII
E138LT6GI8
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
NSC
5834
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
PUBCHEM
3034177
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
CAS
6281-66-9
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY