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CHEBI:47444 - 6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine

ChEBI IDCHEBI:47444
ChEBI Name6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine
Stars
ASCII Name6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine
Last Modified24 October 2014
DownloadsMolfile
FormulaC22H20ClN5
Net Charge0
Average Mass389.890
Monoisotopic Mass389.14072
SMILES[H]c1nc(-c2c([H])c([H])c(C3(c4c([H])c([H])c(Cl)c([H])c4[H])C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])c([H])c2[H])c2nc([H])n([H])c2n1
InChIInChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
InChIKeyHPWBHQIUIBFTQC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine (CHEBI:47444) is a monochlorobenzenes (CHEBI:83403)
6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine (CHEBI:47444) is a piperidines (CHEBI:26151)
6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine (CHEBI:47444) is a purines (CHEBI:26401)
Synonyms  Source
6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purinePDBeChem
6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINEPDBeChem
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