EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94800 - N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide

ChEBI IDCHEBI:94800
ChEBI NameN-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide
Stars
DownloadsMolfile
FormulaC25H34N8O
Net Charge0
Average Mass462.602
Monoisotopic Mass462.28556
SMILESC=CC(=O)Nc1cccc(Nc2nc(NC3CCC(N(C)C)CC3)nc3c2ncn3C(C)C)c1
InChIInChI=1S/C25H34N8O/c1-6-21(34)27-18-8-7-9-19(14-18)28-23-22-24(33(15-26-22)16(2)3)31-25(30-23)29-17-10-12-20(13-11-17)32(4)5/h6-9,14-17,20H,1,10-13H2,2-5H3,(H,27,34)(H2,28,29,30,31)
InChIKeyDGEBYERMQBTMHV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide (CHEBI:94800) is a 6-aminopurines (CHEBI:20706)
Manual XrefsDatabases
LSM-5970LINCS