EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192614 - Homosildenafil

ChEBI IDCHEBI:192614
ChEBI NameHomosildenafil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N6O4S
Net Charge0
Average Mass488.614
Monoisotopic Mass488.22057
SMILESCCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nc12
InChIInChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)
InChIKeyMJEXYQIZUOHDGY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
Homosildenafil (CHEBI:192614) is a sulfonamide (CHEBI:35358)
IUPAC Name 
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Manual XrefsDatabases
22547032ChemSpider
Registry NumbersSources
CAS:642928-07-2ChemIDplus