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CHEBI:91458 - N-methyl-N-[4-[[6-[[1-(1-oxoprop-2-enyl)-3-piperidinyl]amino]-7H-purin-2-yl]amino]phenyl]propanamide

Default Structure
ChEBI IDCHEBI:91458
ChEBI NameN-methyl-N-[4-[[6-[[1-(1-oxoprop-2-enyl)-3-piperidinyl]amino]-7H-purin-2-yl]amino]phenyl]propanamide
Stars
DownloadsMolfile
FormulaC23H28N8O2
Net Charge0
Average Mass448.531
Monoisotopic Mass448.23352
SMILESC=CC(=O)N1CCCC(Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3ncnc23)C1
InChIInChI=1S/C23H28N8O2/c1-4-18(32)30(3)17-10-8-15(9-11-17)27-23-28-21-20(24-14-25-21)22(29-23)26-16-7-6-12-31(13-16)19(33)5-2/h5,8-11,14,16H,2,4,6-7,12-13H2,1,3H3,(H3,24,25,26,27,28,29)
InChIKeyOTPQDXLFXQGSHS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-methyl-N-[4-[[6-[[1-(1-oxoprop-2-enyl)-3-piperidinyl]amino]-7H-purin-2-yl]amino]phenyl]propanamide (CHEBI:91458) is a thiopurine (CHEBI:35666)
Manual XrefsDatabases
LSM-1215LINCS