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CHEBI:230956 - 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol

ChEBI IDCHEBI:230956
ChEBI Name2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N6O
Net Charge0
Average Mass354.458
Monoisotopic Mass354.21681
SMILESCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)
InChIKeyBTIHMVBBUGXLCJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol (CHEBI:230956) is a thiopurine (CHEBI:35666)
IUPAC Name 
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
Manual XrefsDatabases
4918ChemSpider
HMDB0244822HMDB