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theobromine

PubChem CID 5429· C7H8N4O2

Molecular formula
C7H8N4O2
Molecular weight
180.16 g/mol
IUPAC name
3,7-dimethylpurine-2,6-dione
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C
InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N