CHEBI:109228 - 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
ChEBI ID CHEBI:109228
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H29ClN6O2
Net Charge 0
Average Mass 493.001
Monoisotopic Mass 492.20405
InChI InChI=1S/C26H29ClN6O2/c1-18-8-9-20(27)16-21(18)32-14-12-31(13-15-32)17-22-28-24-23(25(34)29-26(35)30(24)2)33(22)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,29,34,35)
InChIKey DMXSESYFIYHLOH-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C
ChEBI Ontology
Outgoing 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione (CHEBI:109228) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-20625 LINCS
View more database links