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CHEBI:108190 - 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine

ChEBI IDCHEBI:108190
ChEBI Name2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
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DownloadsMolfile
FormulaC21H27N5OS
Net Charge0
Average Mass397.548
Monoisotopic Mass397.19363
SMILESCCOc1ccc(-n2nc3c(SCCN4CCCC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C21H27N5OS/c1-4-27-18-9-7-17(8-10-18)26-16(3)19-15(2)22-23-21(20(19)24-26)28-14-13-25-11-5-6-12-25/h7-10H,4-6,11-14H2,1-3H3
InChIKeyYVEXVFVRGDSMHQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine (CHEBI:108190) is a pyrazoles (CHEBI:26410)
2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine (CHEBI:108190) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-19567LINCS