EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:752449 - nestifylline

Default Structure
ChEBI IDCHEBI:752449
ChEBI Namenestifylline
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC11H14N4O2S2
Net Charge0
Average Mass298.393
Monoisotopic Mass298.05582
SMILESCn1c(=O)c2c(ncn2CC2SCCS2)n(C)c1=O
InChIInChI=1S/C11H14N4O2S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKeyHIQUBRAKVZRBRW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nestifylline (CHEBI:752449) is a oxopurine (CHEBI:25810)
INNs  Source
nestifilinaWHO MedNet
nestifyllineWHO MedNet