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2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide

View entire compound with spectra: 1 MS (GC)

2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
SpectraBase Compound ID FaG6tvASHfh
InChI InChI=1S/C23H19ClF3N5O4S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-5-3-4-6-16(13)24)21(29-19)37-12-17(33)28-14-7-9-15(10-8-14)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33)
InChIKey GHBFRNYKRGFHNL-UHFFFAOYSA-N
Mol Weight 553.94 g/mol
Molecular Formula C23H19ClF3N5O4S
Exact Mass 553.079837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxNXCuYTMNq
Name 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Alternate Name(s) 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Formula C23H19ClF3N5O4S
InChI InChI=1S/C23H19ClF3N5O4S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-5-3-4-6-16(13)24)21(29-19)37-12-17(33)28-14-7-9-15(10-8-14)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33)
InChIKey GHBFRNYKRGFHNL-UHFFFAOYSA-N
Molecular Weight 553.944 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-004i-7900000000-b7471f7cc077b522968d
Wiley ID 1461405