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Acetamide, N-cyclopentyl-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 Dyv6xbpDR0d
InChI InChI=1S/C22H24F3N5O3S/c1-28-18-17(19(32)29(2)21(28)33)30(11-13-6-5-7-14(10-13)22(23,24)25)20(27-18)34-12-16(31)26-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9,11-12H2,1-2H3,(H,26,31)
InChIKey SPZBZBHFZCPEAV-UHFFFAOYSA-N
Mol Weight 495.52 g/mol
Molecular Formula C22H24F3N5O3S
Exact Mass 495.155195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERNNBsOvcd7
Name Acetamide, N-cyclopentyl-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-
Alternate Name(s) N-cyclopentyl-2-[[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-8-purinyl]thio]acetamide N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetamide N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-acetamide N-cyclopentyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-ethanamide
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Formula C22H24F3N5O3S
InChI InChI=1S/C22H24F3N5O3S/c1-28-18-17(19(32)29(2)21(28)33)30(11-13-6-5-7-14(10-13)22(23,24)25)20(27-18)34-12-16(31)26-15-8-3-4-9-15/h5-7,10,15H,3-4,8-9,11-12H2,1-2H3,(H,26,31)
InChIKey SPZBZBHFZCPEAV-UHFFFAOYSA-N
Molecular Weight 495.521 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1cccc(c1)C(F)(F)F)C(=O)N(C)C(=O)N2C)=O)C1CCCC1
SPLASH splash10-05ot-9732300000-aec627c6261f4deacee7
Source of Spectrum IY-1-4698-3
Wiley ID 1654966