CAFFEINE THEOPHYLLINE COMPOUND

Molecular Formula: C₁₅H₁₈N₈O₄

InChI: InChI=1/C8H10N4O2.C7H8N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h4H,1-3H3;3H,1-2H3,(H,8,9)/f/h;8H

InChIKey: InChIKey=FDGAASMEUKCILR-JBXJCYQCCP
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN1C2=C(C(=O)N(C1=O)C)NC=N2

Names:
    CAFFEINE THEOPHYLLINE COMPOUND
    1,3-dimethyl-7H-purine-2,6-dione; 1,3,7-trimethylpurine-2,6-dione
    10885-54-8

Registries:
    PubChem CID 25434
    PubChem ID 168167