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CHEBI:47565 - 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL

Default Structure
ChEBI IDCHEBI:47565
ChEBI Name4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H29ClN6OS
Net Charge0
Average Mass485.057
Monoisotopic Mass484.18121
SMILES[H]Oc1c([H])c([H])c(C([H])([H])C([H])([H])N([H])c2nc(SC([H])([H])C([H])([H])C([H])([H])c3c([H])c([H])c(Cl)c([H])c3[H])nc(N3C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])n2)c([H])c1[H]
InChIInChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)
InChIKeyAIBKIFHSQQYXLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL (CHEBI:47565) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOLPDBeChem
4-{2-[(4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]ethyl}phenolPDBeChem
Manual XrefsDatabases
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