EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116982 - 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione

ChEBI IDCHEBI:116982
ChEBI Name1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione
Stars
DownloadsMolfile
FormulaC21H23N7O2S
Net Charge0
Average Mass437.529
Monoisotopic Mass437.16339
SMILESCN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1ncccn1
InChIInChI=1S/C21H23N7O2S/c1-25(14-15-8-5-4-6-9-15)20-24-17-16(18(29)27(3)21(30)26(17)2)28(20)12-13-31-19-22-10-7-11-23-19/h4-11H,12-14H2,1-3H3
InChIKeyPWYPNUCUNLAZFU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione (CHEBI:116982) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-28430LINCS