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CHEBI:168835 - N-desalkyludenafil

ChEBI IDCHEBI:168835
ChEBI NameN-desalkyludenafil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O4S
Net Charge0
Average Mass405.480
Monoisotopic Mass405.14708
SMILESCCCOc1ccc(S(N)(=O)=O)cc1-c1nc(=O)c2c(n1)c(CCC)nn2C
InChIInChI=1S/C18H23N5O4S/c1-4-6-13-15-16(23(3)22-13)18(24)21-17(20-15)12-10-11(28(19,25)26)7-8-14(12)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,19,25,26)(H,20,21,24)
InChIKeyWQAFYWMRZOZKJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-desalkyludenafil (CHEBI:168835) is a sulfonamide (CHEBI:35358)
IUPAC Name 
3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulonamide
Manual XrefsDatabases
8199820ChemSpider
HMDB0061071HMDB
Registry NumbersSources
CAS:319491-68-4ChemIDplus