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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID lIKtDWzvpd
InChI InChI=1S/C16H14F3N5O4/c1-22-13-12(14(26)23(2)15(22)27)24(8-20-13)7-11(25)21-9-3-5-10(6-4-9)28-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey SKIZTOABRXIPIX-UHFFFAOYSA-N
Mol Weight 397.31 g/mol
Molecular Formula C16H14F3N5O4
Exact Mass 397.099788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1DHTSofUxc
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Alternate Name(s) 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-N-(4-trifluoromethoxy-phenyl)-acetamide 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
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Formula C16H14F3N5O4
InChI InChI=1S/C16H14F3N5O4/c1-22-13-12(14(26)23(2)15(22)27)24(8-20-13)7-11(25)21-9-3-5-10(6-4-9)28-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKey SKIZTOABRXIPIX-UHFFFAOYSA-N
Molecular Weight 397.314 g/mol
SMILES N(C(C[n]1c2c(N(C(N(C)C2=O)=O)C)nc1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-00ke-9815000000-2884d4d8685c9201c117
Wiley ID 1466420