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1-methyl-7H-xanthine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106901

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	1

formula

C₆H₆N₄O₂

charge

mass

166.04908

reference

InChIKey

MVOYJPOZRLFTCP-UHFFFAOYSA-N

InChI

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)

SMILES

Cn1c(=O)[nH]c2nc[nH]c2c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68444 chebi:68444	1-methyl-7H-xanthine 1-methyl-3,7-dihydro-1H-purine-2,6-dione
envipath:...c3dfc58d0df9 envipathM:...c3dfc58d0df9 kegg.compound:C16358 keggC:C16358	1-Methylxanthine
hmdb:HMDB0010738	1-Methylxanthine 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 1-methylxanthine
seed.compound:cpd15074 seedM:cpd15074	1-Methylxanthine 1-methylxanthine Purine analog methylxanthine
metacyc.compound:CPD-9025 metacycM:CPD-9025	1-methylxanthine Purine analog methylxanthine
envipath:...abefa1c31979 envipathM:...abefa1c31979	compound 0062105
hmdb:HMDB10738 keggC:M_C16358 seedM:M_cpd15074	secondary/obsolete/fantasy identifier