EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117098 - 2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

ChEBI IDCHEBI:117098
ChEBI Name2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Stars
DownloadsMolfile
FormulaC15H15N5O2S2
Net Charge0
Average Mass361.452
Monoisotopic Mass361.06672
SMILESCc1nnc(SCc2nc(=O)c3c4c(sc3n2)CCCC4)nc1=O
InChIInChI=1S/C15H15N5O2S2/c1-7-12(21)18-15(20-19-7)23-6-10-16-13(22)11-8-4-2-3-5-9(8)24-14(11)17-10/h2-6H2,1H3,(H,16,17,22)(H,18,20,21)
InChIKeyKJKHBRAIWVBQQD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CHEBI:117098) is a organic heterobicyclic compound (CHEBI:27171)
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CHEBI:117098) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CHEBI:117098) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual XrefsDatabases
LSM-28545LINCS