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CHEBI:175307 - N-desalkyl delavirdine

ChEBI IDCHEBI:175307
ChEBI NameN-desalkyl delavirdine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N6O3S
Net Charge0
Average Mass414.491
Monoisotopic Mass414.14741
SMILESCS(=O)(=O)Nc1ccc2nc(C(=O)N3CCN(c4ncccc4N)CC3)cc2c1
InChIInChI=1S/C19H22N6O3S/c1-29(27,28)23-14-4-5-16-13(11-14)12-17(22-16)19(26)25-9-7-24(8-10-25)18-15(20)3-2-6-21-18/h2-6,11-12,22-23H,7-10,20H2,1H3
InChIKeyMTEFFPTUUPAKOV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-desalkyl delavirdine (CHEBI:175307) is a piperazines (CHEBI:26144)
N-desalkyl delavirdine (CHEBI:175307) is a pyridines (CHEBI:26421)
IUPAC Name 
N-[2-[4-(3-aminopyridin-2-yl)piperazine-1-carbonyl]-1H-indol-5-yl]methanesulonamide
Manual XrefsDatabases
HMDB0061021HMDB
411444ChemSpider
Registry NumbersSources
CAS:165133-86-8ChemIDplus