EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45565 - 7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione

ChEBI IDCHEBI:45565
ChEBI Name7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC18H22N6O2
Net Charge0
Average Mass354.414
Monoisotopic Mass354.18042
SMILESCn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2)n(C)c1=O
InChIInChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)24(12-13-6-4-3-5-7-13)17(20-15)23-10-8-19-9-11-23/h3-7,19H,8-12H2,1-2H3
InChIKeyQFSMMXJBEBXTJP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione (CHEBI:45565) is a oxopurine (CHEBI:25810)
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione (CHEBI:45565) is a piperazines (CHEBI:26144)
IUPAC Name 
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
Synonyms  Source
7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONEPDBeChem
BDPXPDB
Manual XrefsDatabases
DB08530DrugBank