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1H-Purine-2,6-dione, 8-(2,4-difluorophenoxy)-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 4BeRB7JU9ro
InChI InChI=1S/C20H15F3N4O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-5-3-4-6-13(11)22)19(24-17)30-15-8-7-12(21)9-14(15)23/h3-9H,10H2,1-2H3
InChIKey VBSYFMGAAZPDCS-UHFFFAOYSA-N
Mol Weight 416.36 g/mol
Molecular Formula C20H15F3N4O3
Exact Mass 416.109625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97ymEfi7qIl
Name 1H-Purine-2,6-dione, 8-(2,4-difluorophenoxy)-7-[(2-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15F3N4O3
InChI InChI=1S/C20H15F3N4O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-11-5-3-4-6-13(11)22)19(24-17)30-15-8-7-12(21)9-14(15)23/h3-9H,10H2,1-2H3
InChIKey VBSYFMGAAZPDCS-UHFFFAOYSA-N
Molecular Weight 416.360 g/mol
SMILES c12c([n](Cc3c(F)cccc3)c(n1)Oc1c(cc(F)cc1)F)C(N(C)C(N2C)=O)=O
SPLASH splash10-0a4i-3920000000-69fe3453d1b65e092c9c
Source of Spectrum IY-2-4984-5
Synonyms 8-(2,4-difluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 8-(2,4-difluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione 8-(2,4-difluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-[2,4-bis(fluoranyl)phenoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
Wiley ID 1657828