CHEBI:114458 - 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one

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ChEBI Name 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one
ChEBI ID CHEBI:114458
Stars This entity has been manually annotated by a third party.
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Formula C24H23N3O6S
Net Charge 0
Average Mass 481.523
Monoisotopic Mass 481.13076
InChI InChI=1S/C24H23N3O6S/c28-21(26-7-5-24(6-8-26)32-9-10-33-24)16-2-3-17-18(12-16)25-23(34)27(22(17)29)13-15-1-4-19-20(11-15)31-14-30-19/h1-4,11-12H,5-10,13-14H2,(H,25,34)
InChIKey WPTFCTBFOOQKHH-UHFFFAOYSA-N
SMILES C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:114458) is a N-acylpiperidine (CHEBI:48591)
Manual Xref Database
LSM-25919 LINCS
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