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7-(3-Chlorobenzyl)-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-xanthine
SpectraBase Compound ID 18NbEHJvht4
InChI InChI=1S/C25H18Cl3N5O4/c1-31-21-20(23(34)32(2)25(31)35)33(13-14-4-3-5-15(26)10-14)24(30-21)37-18-8-6-17(7-9-18)36-22-19(28)11-16(27)12-29-22/h3-12H,13H2,1-2H3
InChIKey YRROHUGVLSDVQW-UHFFFAOYSA-N
Mol Weight 558.81 g/mol
Molecular Formula C25H18Cl3N5O4
Exact Mass 557.042437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3FVzZTeXJG
Name 7-(3-Chlorobenzyl)-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-xanthine
Alternate Name(s) 7-[(3-chlorophenyl)methyl]-8-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]-1,3-dimethylpurine-2,6-dione 7-[(3-chlorophenyl)methyl]-8-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-1,3-dimethylpurine-2,6-dione 7-[(3-chlorophenyl)methyl]-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-purine-2,6-dione 8-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
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Formula C25H18Cl3N5O4
InChI InChI=1S/C25H18Cl3N5O4/c1-31-21-20(23(34)32(2)25(31)35)33(13-14-4-3-5-15(26)10-14)24(30-21)37-18-8-6-17(7-9-18)36-22-19(28)11-16(27)12-29-22/h3-12H,13H2,1-2H3
InChIKey YRROHUGVLSDVQW-UHFFFAOYSA-N
Molecular Weight 558.809 g/mol
SMILES c12c([n](Cc3cc(Cl)ccc3)c(n1)Oc1ccc(Oc3ncc(cc3Cl)Cl)cc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0059-9611000000-852a1c23d5824e8cbaa6
Wiley ID 1442589