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

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ChEBI Name 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
ChEBI ID CHEBI:108190
Stars This entity has been manually annotated by a third party.
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Formula C21H27N5OS
Net Charge 0
Average Mass 397.539
Monoisotopic Mass 397.19363
InChI InChI=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
InChIKey YVEXVFVRGDSMHQ-UHFFFAOYSA-N
SMILES CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C
ChEBI Ontology
Outgoing 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 Xref Database
LSM-19567 LINCS
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