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acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID LeoaYo5LPYr
InChI InChI=1S/C23H19ClF3N5O4S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-4-3-5-14(24)10-13)21(29-19)37-12-17(33)28-15-6-8-16(9-7-15)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33)
InChIKey QPRXEBRLQOLKKX-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 InmQVGoeLK2
Name 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Alternate Name(s) 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[7-[(3-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(11-13-4-3-5-14(24)10-13)21(29-19)37-12-17(33)28-15-6-8-16(9-7-15)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33)
InChIKey QPRXEBRLQOLKKX-UHFFFAOYSA-N
Molecular Weight 553.944 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1cc(Cl)ccc1)C(=O)N(C(N2C)=O)C)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-004i-7921000000-a23ec4e400af2c9c00ff
Wiley ID 1453893