8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-purine-2,6-dione

Molecular Formula: C16H17BrN4O2S


InChI: InChI=1/C16H17BrN4O2S/c1-20-13-12(14(22)19-15(20)23)21(16(18-13)24-10-8-17)9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,19,22,23)/f/h19H

InChIKey: InChIKey=XDBCPPQSAYOCCW-LILDFLRNCL
SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCBr)CCC3=CC=CC=C3

Names:
    8-(2-bromoethylsulfanyl)-3-methyl-7-phenethyl-purine-2,6-dione

Registries:
    PubChem CID 4170017
    PubChem ID 8372840