CHEBI:192614 - Homosildenafil

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Homosildenafil
ChEBI ID CHEBI:192614
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32N6O4S
Net Charge 0
Average Mass 488.610
Monoisotopic Mass 488.22057
InChI InChI=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)
InChIKey MJEXYQIZUOHDGY-UHFFFAOYSA-N
SMILES S(=O)(=O)(N1CCN(CC1)CC)C2=CC(=C(OCC)C=C2)C=3NC(=O)C=4N(N=C(C4N3)CCC)C
Metabolite of Species Details
Valsa sordida (NCBI:txid252740) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
22547032 ChemSpider
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Registry Number Type Source
642928-07-2 CAS Registry Number ChemIDplus