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CAS Number: 95121-04-3
2-(trifluoromethyl)-1H-purine

Structure

2-(trifluoromethyl)-1H-purine
Name: 2-(trifluoromethyl)-1H-purine
Synonyms:
General Information
Product Number: 95121043

CAS Registry Number 95121-04-3
Name:
9H-​Purine, 2-​(trifluoromethyl)​-
1H-Purine, 2-(trifluoromethyl)- (9CI)

 

Chemical Formula: C6H3F3N4
Exact Mass: 188.03
Molecular Weight: 188.11
m/z: 188.03 (100.0%), 189.03 (8.0%)

 

InChI:InChI=1S/C6H3F3N4/c7-6(8,9)5-10-1-3-4(13-5)12-2-11-3/h1-2H,(H,10,11,12,13)

InChI Key:YDAGLPIQWWSUJT-UHFFFAOYSA-N

Canonical SMILES:C1=C2C(=NC(=N1)C(F)(F)F)N=CN2

Specification

98%

References

PCT Int. Appl. (2013), WO 2013056070 A2 20130418.

PCT Int. Appl. (2004), WO 2004014911 A1 20040219. 

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