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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22N2O3S
Molecular Weight 310.412
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl trans-1-methoxy-4-[4-methyl-6-(methylthio)-2-pyrimidinyl]cyclohexanecarboxylate

SMILES

COC(=O)[C@@]1(CC[C@@H](CC1)C2=NC(C)=CC(SC)=N2)OC

InChI

InChIKey=HZNOQJBYRHJCPA-FUKZOUPISA-N
InChI=1S/C15H22N2O3S/c1-10-9-12(21-4)17-13(16-10)11-5-7-15(20-3,8-6-11)14(18)19-2/h9,11H,5-8H2,1-4H3/t11-,15-

HIDE SMILES / InChI

Molecular Formula C15H22N2O3S
Molecular Weight 310.412
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:53:07 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:07 GMT 2025
Record UNII
TK3H7G5H7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl trans-1-methoxy-4-[4-methyl-6-(methylthio)-2-pyrimidinyl]cyclohexanecarboxylate
Systematic Name English
Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-(methylthio)-2-pyrimidinyl]-, methyl ester, trans-
Preferred Name English
Code System Code Type Description
CAS
2097133-27-0
Created by admin on Wed Apr 02 19:53:07 GMT 2025 , Edited by admin on Wed Apr 02 19:53:07 GMT 2025
PRIMARY
FDA UNII
TK3H7G5H7D
Created by admin on Wed Apr 02 19:53:07 GMT 2025 , Edited by admin on Wed Apr 02 19:53:07 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER