8-ALLYLSULFANYL-7-(3-BROMO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

pro_cas
pro_cdbregno
CCD08063038
pro_formula
C16 H15 Br N4 O2 S
pro_molWeight
407.29

basic_info

Product_Name: 8-ALLYLSULFANYL-7-(3-BROMO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
EnglishSynonyms: 8-ALLYLSULFANYL-7-(3-BROMO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
pro_mdlNumber: MFCD01079315
pro_acceptors: 6
pro_donors: 1
pro_smile: Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCC=C)Cc3cccc(c3)Br
InChi: InChI=1S/C16H15BrN4O2S/c1-3-7-24-16-18-13-12(14(22)19-15(23)20(13)2)21(16)9-10-5-4-6-11(17)8-10/h3-6,8H,1,7,9H2,2H3,(H,19,22,23)
InChiKey: InChIKey=QKUFHGJIYFSIIL-UHFFFAOYSA-N

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