1-methylxanthine





Chemical Formula:
C6H6N4O2
Molecular Weight:
166.139 Daltons
Monoisotopic Mass:
166.0490754576 Daltons
SMILES:
CN2(C(=O)NC1(=C(NC=N1)C(=O)2))
InChI:
1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)

Synonyms
  • methylxanthine
  • Purine analog

Databases
MetaCyc:  CPD-9025
RefMet:  1-Methylxanthine
MetaboLights:  MTBLC68444
HMDB:  HMDB10738
ChEBI:  68444
ChemSpider:  14401121
PubChem (CID):  80220
KEGG:  C16358
MetaNetX:  MNXM1975
PupChem (SID):  47205666
CHEMBL:  CHEMBL1250
NIKKAJI:  J2.241A