Chemical Compounds of Interest

(Q4794)

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Statements

SMILES (without stereochemistry)
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
0 references
chemical formula
C₁₃H₁₂F₂N₆O
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
290
0 references
 
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