7-methylxanthine
An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine.
Exact Synonyms
7-methyl-3,7-dihydro-1H-purine-2,6-dione
7-methylxanthine
Related Synonyms
3,7-dihydro-7-methyl-1H-purine-2,6-dione
7-Methylxanthin
Heteroxanthin
Heteroxanthine
class Information
charge
0
formula
C6H6N4O2
has_dbxref
- CAS:552-62-5
- HMDB:HMDB0001991
- KEGG:C16353
- KNApSAcK:C00007326
- MetaCyc:7-METHYLXANTHINE
- PMID:11712316
- PMID:18068204
- PMID:4196487
- Reaxys:171027
has_obo_namespace
chebi_ontology
inchi
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
in_subset
mass
166.13760
monoisotopicmass
166.04908
smiles
Cn1cnc2[nH]c(=O)[nH]c(=O)c12