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CHEBI:92647 - 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-5-methyl-3-pyridinecarbonitrile

ChEBI IDCHEBI:92647
ChEBI Name2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-5-methyl-3-pyridinecarbonitrile
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FormulaC22H25N3O3S
Net Charge0
Average Mass411.527
Monoisotopic Mass411.16166
SMILESCCc1nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(C#N)cc1C
InChIInChI=1S/C22H25N3O3S/c1-5-18-14(2)8-16(11-23)22(24-18)29-13-21(26)25-7-6-15-9-19(27-3)20(28-4)10-17(15)12-25/h8-10H,5-7,12-13H2,1-4H3
InChIKeyVXICEDNIXASOFW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-5-methyl-3-pyridinecarbonitrile (CHEBI:92647) is a isoquinolines (CHEBI:24922)
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