Caffeine (Q2026)

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chemical compound
Language Label Description Also known as
English
Caffeine
chemical compound

    Statements

    SMILES (without stereochemistry)
    Cn1c(=O)c2c(ncn2C)n(C)c1=O
    0 references
    chemical formula
    C₈H₁₀N₄O₂
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
    1 reference
    based on heuristic
    inferred from SMILES
     
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