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CHEBI:116440 - 1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(2-oxolanylmethyl)thiourea

ChEBI IDCHEBI:116440
ChEBI Name1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(2-oxolanylmethyl)thiourea
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FormulaC21H28N4O4S
Net Charge0
Average Mass432.546
Monoisotopic Mass432.18313
SMILESCN(C)CCN(Cc1cc2cc3c(cc2nc1=O)OCO3)C(=S)NCC1CCCO1
InChIInChI=1S/C21H28N4O4S/c1-24(2)5-6-25(21(30)22-11-16-4-3-7-27-16)12-15-8-14-9-18-19(29-13-28-18)10-17(14)23-20(15)26/h8-10,16H,3-7,11-13H2,1-2H3,(H,22,30)(H,23,26)
InChIKeyWDKMWWJAYFRUHV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(2-oxolanylmethyl)thiourea (CHEBI:116440) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-27894LINCS