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8-(4-Chloranyl-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
SpectraBase Compound ID LCwEliE3G8I
InChI InChI=1S/C26H26ClFN4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-17-10-6-7-11-20(17)28)25(29-23)35-21-13-12-18(27)14-19(21)16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3
InChIKey GILZIYNJSLAYOI-UHFFFAOYSA-N
Mol Weight 496.97 g/mol
Molecular Formula C26H26ClFN4O3
Exact Mass 496.167747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JddBH8lcyD
Name 8-(4-Chloranyl-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
Alternate Name(s) 8-(4-Chloro-2-cyclohexyl-phenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine 8-(4-Chloro-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(4-Chloro-2-cyclohexylphenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C26H26ClFN4O3
InChI InChI=1S/C26H26ClFN4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-17-10-6-7-11-20(17)28)25(29-23)35-21-13-12-18(27)14-19(21)16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3
InChIKey GILZIYNJSLAYOI-UHFFFAOYSA-N
Molecular Weight 496.970 g/mol
SMILES C1(=O)N(c2nc([n](Cc3ccccc3F)c2C(=O)N1C)Oc1c(cc(cc1)Cl)C1CCCCC1)C
SPLASH splash10-0a4i-3911100000-17cb6b9d8af5da1b5595
Wiley ID 1445678