8-HEXYLSULFANYL-3-METHYL-7-(3-PHENYL-PROPYL)-3,7-DIHYDRO-PURINE-2,6-DIONE

pro_cas
pro_cdbregno
CCD08061133
pro_formula
C21 H28 N4 O2 S
pro_molWeight
400.544

basic_info

Product_Name: 8-HEXYLSULFANYL-3-METHYL-7-(3-PHENYL-PROPYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
EnglishSynonyms: 8-HEXYLSULFANYL-3-METHYL-7-(3-PHENYL-PROPYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
pro_mdlNumber: MFCD01032166
pro_acceptors: 6
pro_donors: 1
pro_smile: CCCCCCSc1nc2c(n1CCCc3ccccc3)c(=O)[nH]c(=O)n2C
InChi: InChI=1S/C21H28N4O2S/c1-3-4-5-9-15-28-21-22-18-17(19(26)23-20(27)24(18)2)25(21)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3,(H,23,26,27)
InChiKey: InChIKey=BJIHGKDABSSITJ-UHFFFAOYSA-N

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