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1H-Purine-2,6-dione, 8-(2-chlorophenoxy)-3,7-dihydro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-
SpectraBase Compound ID 2w5BdFVa6mN
InChI InChI=1S/C21H16ClF3N4O3/c1-27-17-16(18(30)28(2)20(27)31)29(11-12-6-5-7-13(10-12)21(23,24)25)19(26-17)32-15-9-4-3-8-14(15)22/h3-10H,11H2,1-2H3
InChIKey UJFDKNMRLLFERK-UHFFFAOYSA-N
Mol Weight 464.83 g/mol
Molecular Formula C21H16ClF3N4O3
Exact Mass 464.086303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtxuGtP70pb
Name 1H-Purine-2,6-dione, 8-(2-chlorophenoxy)-3,7-dihydro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClF3N4O3
InChI InChI=1S/C21H16ClF3N4O3/c1-27-17-16(18(30)28(2)20(27)31)29(11-12-6-5-7-13(10-12)21(23,24)25)19(26-17)32-15-9-4-3-8-14(15)22/h3-10H,11H2,1-2H3
InChIKey UJFDKNMRLLFERK-UHFFFAOYSA-N
Molecular Weight 464.832 g/mol
SMILES c12c([n](c(Oc3ccccc3Cl)n1)Cc1cc(ccc1)C(F)(F)F)C(=O)N(C)C(=O)N2C
SPLASH splash10-0a4i-3931100000-e1448573f19504764a77
Source of Spectrum IY-1-4626-9
Synonyms 8-(2-Chlorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione 8-(2-Chloranylphenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Wiley ID 1654252