CHEBI:93024 - 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione

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ChEBI Name 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione
ChEBI ID CHEBI:93024
Stars This entity has been manually annotated by a third party.
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Formula C22H29ClN6O2
Net Charge 0
Average Mass 444.958
Monoisotopic Mass 444.20405
InChI InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3
InChIKey CYKISVYTUCOJRU-UHFFFAOYSA-N
SMILES CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl
ChEBI Ontology
Outgoing 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione (CHEBI:93024) is a piperazines (CHEBI:26144)
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