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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

Approval Year

Unknown
139594
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 Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023
PRIMARY
FDA UNII
4N6RMF8XHB
Created by admin on Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023
PRIMARY
PUBCHEM
118970579
Created by admin on Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023
PRIMARY
PARENT (METABOLITE)
Structure of CANGRELOR
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