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CHEBI:120548 - 8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

ChEBI IDCHEBI:120548
ChEBI Name8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
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DownloadsMolfile
FormulaC21H26N6O3S
Net Charge0
Average Mass442.545
Monoisotopic Mass442.17871
SMILESCC(C)(C)n1nnnc1C(c1cc2cc3c(cc2nc1=O)OCCO3)N1CCSCC1
InChIInChI=1S/C21H26N6O3S/c1-21(2,3)27-19(23-24-25-27)18(26-4-8-31-9-5-26)14-10-13-11-16-17(30-7-6-29-16)12-15(13)22-20(14)28/h10-12,18H,4-9H2,1-3H3,(H,22,28)
InChIKeyQOTDCCJXIFWQLX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CHEBI:120548) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-31991LINCS