Description
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione
InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Isomeric SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonyms: theophylline; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophylline anhydrous; Theophyllin; Theolair; Nuelin; …
Botanical Source: Green Tea