EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92186 - N-(1H-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine

ChEBI IDCHEBI:92186
ChEBI NameN-(1H-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
Stars
DownloadsMolfile
FormulaC25H22N8OS
Net Charge0
Average Mass482.573
Monoisotopic Mass482.16373
SMILESc1ccc2cc3nc(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc3cc2c1
InChIInChI=1S/C25H22N8OS/c1-2-4-17-12-20-19(11-16(17)3-1)28-21(29-20)13-26-23-22-24(33(15-27-22)18-5-10-35-14-18)31-25(30-23)32-6-8-34-9-7-32/h1-5,10-12,14-15H,6-9,13H2,(H,28,29)(H,26,30,31)
InChIKeyYKFITDVTDUOHEH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1H-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine (CHEBI:92186) is a thiopurine (CHEBI:35666)
Manual XrefsDatabases
LSM-2220LINCS