3-Methylxanthine

• Formula: C₆H₆N₄O₂

• MW: 166.14

• SMILES String: Cn1c2nc[nH]c2c(=O)[nH]c1=O

• Synonyms: 3-methyl-7H-purine-2,6-dione

• CAS Reg. 1076-22-8

• PubChem Substance Entry

• EAWAG-BBD reactions whose product is 3-Methylxanthine
  • Theobromine -----> 3-Methylxanthine (reacID# r1319)
  • Theophylline -----> 3-Methylxanthine (reacID# r1325)

• EAWAG-BBD reactions whose substrate is 3-Methylxanthine
  • 3-Methylxanthine -----> Xanthine (reacID# r1329)

Page Author(s): Rachael Long
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c1156.
It was generated on June 5, 2025 at 2:42:59 PM CDT.

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