7-[2-(1H-BENZOIMIDAZOL-2-YLSULFANYL)-ETHYL]-8-BROMO-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

CAS No.
CCD No.
CCD08066088
Formula
C15 H13 Br N6 O2 S
MolWeight
421.278

Basic Information

Product Name: 7-[2-(1H-BENZOIMIDAZOL-2-YLSULFANYL)-ETHYL]-8-BROMO-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
English Synonyms: 7-[2-(1H-BENZOIMIDAZOL-2-YLSULFANYL)-ETHYL]-8-BROMO-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
MDL Number.: MFCD01186323
H bond acceptor: 8
H bond donor: 2
Smile: Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Br)CCSc3[nH]c4ccccc4n3
InChi: InChI=1S/C15H13BrN6O2S/c1-21-11-10(12(23)20-15(21)24)22(13(16)19-11)6-7-25-14-17-8-4-2-3-5-9(8)18-14/h2-5H,6-7H2,1H3,(H,17,18)(H,20,23,24)
InChiKey: InChIKey=XXBXBYXMPIWJMU-UHFFFAOYSA-N

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