CHEBI:93395 - 2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine
ChEBI ID CHEBI:93395
Stars This entity has been manually annotated by a third party.
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Formula C22H19F3N8OS
Net Charge 0
Average Mass 500.501
Monoisotopic Mass 500.13546
InChI InChI=1S/C22H19F3N8OS/c23-22(24,25)13-1-2-15-16(9-13)29-17(28-15)10-26-19-18-20(33(12-27-18)14-3-8-35-11-14)31-21(30-19)32-4-6-34-7-5-32/h1-3,8-9,11-12H,4-7,10H2,(H,28,29)(H,26,30,31)
InChIKey OJYLDJPQAFKURV-UHFFFAOYSA-N
SMILES C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=C(N4)C=C(C=C5)C(F)(F)F)N=CN3C6=CSC=C6
ChEBI Ontology
Outgoing 2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine (CHEBI:93395) is a thiopurine (CHEBI:35666)
Manual Xref Database
LSM-3784 LINCS
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