EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188830 - 4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

ChEBI IDCHEBI:188830
ChEBI Name4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21ClN4S
Net Charge0
Average Mass372.925
Monoisotopic Mass372.11755
SMILESCCc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)ncnc2s1
InChIInChI=1S/C19H21ClN4S/c1-2-16-11-17-18(21-13-22-19(17)25-16)24-9-7-23(8-10-24)12-14-3-5-15(20)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyWLMKLKVMNYSQDC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CHEBI:188830) is a N-arylpiperazine (CHEBI:46848)
IUPAC Name 
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
Manual XrefsDatabases
21684858ChemSpider