7-methylxanthine

7-methylxanthine




Chemical Formula:
C6H6N4O2
Molecular Weight:
166.139 Daltons
Monoisotopic Mass:
166.0490754576 Daltons
SMILES:
CN1(C=NC2(NC(=O)NC(=O)C1=2))
InChI:
1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey:
PFWLFWPASULGAN-UHFFFAOYSA-N

Synonyms
  • heteroxanthine
  • 3,7-dihydro-7-methyl-1H-purine-2,6-dione

Databases
MetaCyc:  7-METHYLXANTHINE
RefMet:  7-Methylxanthine
HMDB:  HMDB01991
ChemSpider:  61660
PubChem (CID):  68374
ChEBI:  48991
KEGG:  C16353
Seed:  cpd15069
MetaNetX:  MNXM628
PupChem (SID):  47205661
CHEMBL:  CHEMBL321248
KNApSAcK:  C00007326
NIKKAJI:  J1.614D