General Information
Compound IDOSC0587
Common NameTheobromine
Synonyms Names3,7-Dimethylxanthine
FormulaC7H8N4O2
Formula at pH 7.2 (Predicted)C7H8N4O2
Molecular Weight180.164
Structure
SMILESCn1cnc2c1c(=O)[nH]c(=O)n2C
ReactionsOSR0319  
Pathways
KEGGrn00232  
Database Links
KEGGC07480  
ChEBI 28946
Pubchem Compound5429
Pubchem Substance9683