EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109186 - [4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone

ChEBI IDCHEBI:109186
ChEBI Name[4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
Stars
DownloadsMolfile
FormulaC24H27N7O2
Net Charge0
Average Mass445.527
Monoisotopic Mass445.22262
SMILESCC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C24H27N7O2/c1-24(2,3)23-25-20(29-11-13-30(14-12-29)22(32)18-10-7-15-33-18)19-21(26-23)31(28-27-19)16-17-8-5-4-6-9-17/h4-10,15H,11-14,16H2,1-3H3
InChIKeyPITQDHHHZHJSFE-UHFFFAOYSA-N
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-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone (CHEBI:109186) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-20583LINCS