EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82229 - Isomethiozin

ChEBI IDCHEBI:82229
ChEBI NameIsomethiozin
Stars
DownloadsMolfile
FormulaC12H20N4OS
Net Charge0
Average Mass268.386
Monoisotopic Mass268.13578
SMILESCSc1nnc(C(C)(C)C)c(=O)n1/N=C/C(C)C
InChIInChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3/b13-7+
InChIKeyMZTLOILRKLUURT-NTUHNPAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomethiozin (CHEBI:82229) is a triazines (CHEBI:38102)
Manual XrefsDatabases
C19107KEGG COMPOUND
Registry NumbersSources
CAS:57052-04-7KEGG COMPOUND