EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44058 - 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE

Default Structure
ChEBI IDCHEBI:44058
ChEBI Name4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H17N3O2S
Net Charge0
Average Mass327.409
Monoisotopic Mass327.10415
SMILES[H]c1nc(N([H])c2c([H])c([H])c([H])c(SC([H])([H])[H])c2[H])c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2n1
InChIInChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyFUSDVOSGGMBSMK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE (CHEBI:44058) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINEPDBeChem
6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-aminePDBeChem
Manual XrefsDatabases
MSQPDBeChem