EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120509 - 4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile

ChEBI IDCHEBI:120509
ChEBI Name4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile
Stars
DownloadsMolfile
FormulaC22H19N5O3
Net Charge0
Average Mass401.426
Monoisotopic Mass401.14879
SMILESCOCCn1c(-c2ccc(C#N)cc2)nc2c1c(=O)nc(=O)n2Cc1ccccc1
InChIInChI=1S/C22H19N5O3/c1-30-12-11-26-18-20(24-19(26)17-9-7-15(13-23)8-10-17)27(22(29)25-21(18)28)14-16-5-3-2-4-6-16/h2-10H,11-12,14H2,1H3,(H,25,28,29)
InChIKeyIYYXHZZNRSYNIR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile (CHEBI:120509) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-31952LINCS