U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14F3N5S2
Molecular Weight 337.388
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9H-PURIN-6-AMINE, N-(2-(METHYLTHIO)ETHYL)-2-((3,3,3-TRIFLUOROPROPYL)THIO)-

SMILES

CSCCNC1=C2N=CNC2=NC(SCCC(F)(F)F)=N1

InChI

InChIKey=JNDPACLVBHNENT-UHFFFAOYSA-N
InChI=1S/C11H14F3N5S2/c1-20-5-3-15-8-7-9(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 C11H14F3N5S2
Molecular Weight 337.388
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 Thu Jul 06 20:44:55 UTC 2023
Edited
by admin
on Thu Jul 06 20:44:55 UTC 2023
Record UNII
4N6RMF8XHB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9H-PURIN-6-AMINE, N-(2-(METHYLTHIO)ETHYL)-2-((3,3,3-TRIFLUOROPROPYL)THIO)-
Systematic Name English
AR-C71301XX
Code English
N-(2-(METHYLTHIO)ETHYL)-2-((3,3,3-TRIFLUOROPROPYL)THIO)-9H-PURIN-6-AMINE
Systematic Name English
Code System Code Type Description
CAS
1830294-25-1
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
FDA UNII
4N6RMF8XHB
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
PUBCHEM
118970579
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL