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Acetamide, N-[4-(chlorodifluoromethoxy)phenyl]-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-
SpectraBase Compound ID FZbW7puMF7w
InChI InChI=1S/C24H19ClF5N5O4S/c1-33-19-18(20(37)34(2)22(33)38)35(11-13-4-3-5-14(10-13)23(26,27)28)21(32-19)40-12-17(36)31-15-6-8-16(9-7-15)39-24(25,29)30/h3-10H,11-12H2,1-2H3,(H,31,36)
InChIKey PWKNPIBFWMIFAB-UHFFFAOYSA-N
Mol Weight 603.95 g/mol
Molecular Formula C24H19ClF5N5O4S
Exact Mass 603.076644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1o6r2zaIuE7
Name Acetamide, N-[4-(chlorodifluoromethoxy)phenyl]-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-
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Formula C24H19ClF5N5O4S
InChI InChI=1S/C24H19ClF5N5O4S/c1-33-19-18(20(37)34(2)22(33)38)35(11-13-4-3-5-14(10-13)23(26,27)28)21(32-19)40-12-17(36)31-15-6-8-16(9-7-15)39-24(25,29)30/h3-10H,11-12H2,1-2H3,(H,31,36)
InChIKey PWKNPIBFWMIFAB-UHFFFAOYSA-N
Molecular Weight 603.952 g/mol
SMILES N(c1ccc(cc1)OC(F)(F)Cl)C(=O)CSc1nc2c([n]1Cc1cccc(c1)C(F)(F)F)C(=O)N(C)C(=O)N2C
SPLASH splash10-0a6r-5942001000-fd234ea2bbc8a7ffff5e
Synonyms N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-ethanamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-8-purinyl]thio]acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[[2,6-diketo-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]purin-8-yl]thio]acetamide N-{4-[chloro(difluoro)methoxy]phenyl}-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Wiley ID 1512168