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Details

Stereochemistry RACEMIC
Molecular Formula C11H14F3N5OS2
Molecular Weight 353.387
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-C90441XX

SMILES

C[S+]([O-])CCNC1=C2N=CNC2=NC(SCCC(F)(F)F)=N1

InChI

InChIKey=PCWTVCBNPPBJSA-UHFFFAOYSA-N
InChI=1S/C11H14F3N5OS2/c1-22(20)5-3-15-8-7-9(17-6-16-7)19-10(18-8)21-4-2-11(12,13)14/h6H,2-5H2,1H3,(H2,15,16,17,18,19)

HIDE SMILES / InChI

Molecular Formula C11H14F3N5OS2
Molecular Weight 353.387
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:14:07 UTC 2023
Edited
by admin
on Thu Jul 06 20:14:07 UTC 2023
Record UNII
AU2535SHH9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AR-C90441XX
Code English
N-(2-METHYLSULFINYLETHYL)-2-(3,3,3-TRIFLUOROPROPYLSULFANYL)-9H-PURIN-6-AMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
121475947
Created by admin on Thu Jul 06 20:14:07 UTC 2023 , Edited by admin on Thu Jul 06 20:14:07 UTC 2023
PRIMARY
FDA UNII
AU2535SHH9
Created by admin on Thu Jul 06 20:14:07 UTC 2023 , Edited by admin on Thu Jul 06 20:14:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
TRACE
URINE
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MINOR
FECAL