EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113211 - 3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one

ChEBI IDCHEBI:113211
ChEBI Name3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
Stars
DownloadsMolfile
FormulaC22H21ClN6O2S
Net Charge0
Average Mass468.970
Monoisotopic Mass468.11352
SMILESO=C(Cc1cccs1)N1CCCC(c2nc3n(Cc4ccccc4Cl)nnc-3c(=O)n2)C1
InChIInChI=1S/C22H21ClN6O2S/c23-17-8-2-1-5-14(17)13-29-21-19(26-27-29)22(31)25-20(24-21)15-6-3-9-28(12-15)18(30)11-16-7-4-10-32-16/h1-2,4-5,7-8,10,15,27H,3,6,9,11-13H2
InChIKeyRGSDOQYAMVOIIH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one (CHEBI:113211) is a triazolopyrimidines (CHEBI:48435)
Manual XrefsDatabases
LSM-24622LINCS