CHEBI:107539 - 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione

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ChEBI Name 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione ChEBI ID CHEBI:107539 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H25ClFN5O2 Net Charge 0 Average Mass 433.908 Monoisotopic Mass 433.16808 InChI InChI=1S/C21H25ClFN5O2/c1-13-6-5-9-27(10-13)12-17-24-19-18(20(29)26(3)21(30)25(19)2)28(17)11-14-15(22)7-4-8-16(14)23/h4,7-8,13H,5-6,9-12H2,1-3H3 InChIKey YGWLDMTVPHQFIX-UHFFFAOYSA-N SMILES CC1CCCN(C1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C ChEBI Ontology Outgoing 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione (CHEBI:107539) is a oxopurine (CHEBI:25810) Manual Xref Database LSM-18895 LINCS View more database links