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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1h-quinazolin-4-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1h-quinazolin-4-one

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H27N3O4S

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

mass

  • 417.524

monoisotopicmass

  • 417.17223

smiles

  • C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105729

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