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theophylline

PubChem CID 2153· C7H8N4O2

Molecular formula
C7H8N4O2
Molecular weight
180.16 g/mol
IUPAC name
1,3-dimethyl-7H-purine-2,6-dione
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChIKey
ZFXYFBGIUFBOJW-UHFFFAOYSA-N