CHEBI:105729 - 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one

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ChEBI Name 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
ChEBI ID CHEBI:105729
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H27N3O4S
Net Charge 0
Average Mass 417.524
Monoisotopic Mass 417.17223
InChI InChI=1S/C21H27N3O4S/c25-18(23-12-9-21(10-13-23)27-14-15-28-21)8-2-1-5-11-24-19(26)16-6-3-4-7-17(16)22-20(24)29/h3-4,6-7H,1-2,5,8-15H2,(H,22,29)
InChIKey AQBWUEJVFPHJKP-UHFFFAOYSA-N
SMILES C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S
ChEBI Ontology
Outgoing 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:105729) is a quinazolines (CHEBI:38530)
Manual Xref Database
LSM-17091 LINCS
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