CHEBI:108298 - 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione

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ChEBI Name 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
ChEBI ID CHEBI:108298
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H22BrN5O2
Net Charge 0
Average Mass 420.304
Monoisotopic Mass 419.09569
InChI InChI=1S/C18H22BrN5O2/c1-11(2)9-20-17-21-15-14(16(25)23(4)18(26)22(15)3)24(17)10-12-6-5-7-13(19)8-12/h5-8,11H,9-10H2,1-4H3,(H,20,21)
InChIKey BAJAGPSKIPXFJA-UHFFFAOYSA-N
SMILES CC(C)CNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C
ChEBI Ontology
Outgoing 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione (CHEBI:108298) is a oxopurine (CHEBI:25810)
Manual Xref Database
LSM-19675 LINCS
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