CHEBI:104949 - 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea
ChEBI ID CHEBI:104949
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H25N5O3S
Net Charge 0
Average Mass 415.511
Monoisotopic Mass 415.16781
InChI InChI=1S/C20H25N5O3S/c1-2-26-8-4-7-24-20(29)23-6-3-5-22-19-15(12-21)9-14-10-17-18(28-13-27-17)11-16(14)25-19/h9-11H,2-8,13H2,1H3,(H,22,25)(H2,23,24,29)
InChIKey RSOYCKZHDINCSE-UHFFFAOYSA-N
SMILES CCOCCCNC(=S)NCCCNC1=NC2=CC3=C(C=C2C=C1C#N)OCO3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea (CHEBI:104949) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-16312 LINCS
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