EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119950 - 2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one

ChEBI IDCHEBI:119950
ChEBI Name2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
Stars
DownloadsMolfile
FormulaC18H18N2O2S
Net Charge0
Average Mass326.421
Monoisotopic Mass326.10890
SMILESCOc1cccc(-c2nc(=O)c3c4c(sc3n2)CCCCC4)c1
InChIInChI=1S/C18H18N2O2S/c1-22-12-7-5-6-11(10-12)16-19-17(21)15-13-8-3-2-4-9-14(13)23-18(15)20-16/h5-7,10H,2-4,8-9H2,1H3,(H,19,20,21)
InChIKeyOHQNHGDOKOMLFS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one (CHEBI:119950) is a organic heterobicyclic compound (CHEBI:27171)
2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one (CHEBI:119950) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one (CHEBI:119950) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual XrefsDatabases
LSM-31393LINCS