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1,3-Dimethyl-6-(2-sulfanylbenzoyl)-7-(pentafluoroethyl)pyridino[2,3-d]pymidine-2,4(1H,3H)-dione
SpectraBase Compound ID 5zWE4oUhzKF
InChI InChI=1S/C18H12F5N3O3S/c1-25-14-10(15(28)26(2)16(25)29)7-9(12(27)8-5-3-4-6-11(8)30)13(24-14)17(19,20)18(21,22)23/h3-7,30H,1-2H3
InChIKey HZFXJIZRXDXARU-UHFFFAOYSA-N
Mol Weight 445.36 g/mol
Molecular Formula C18H12F5N3O3S
Exact Mass 445.051953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h40lBOMtMJ
Name 1,3-Dimethyl-6-(2-sulfanylbenzoyl)-7-(pentafluoroethyl)pyridino[2,3-d]pymidine-2,4(1H,3H)-dione
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Formula C18H12F5N3O3S
InChI InChI=1S/C18H12F5N3O3S/c1-25-14-10(15(28)26(2)16(25)29)7-9(12(27)8-5-3-4-6-11(8)30)13(24-14)17(19,20)18(21,22)23/h3-7,30H,1-2H3
InChIKey HZFXJIZRXDXARU-UHFFFAOYSA-N
Molecular Weight 445.364 g/mol
SMILES Sc1c(C(c2c(C(C(F)(F)F)(F)F)nc3N(C(N(C)C(c3c2)=O)=O)C)=O)cccc1
SPLASH splash10-004i-0109000000-30744a0cb28aa0609eba
Source of Spectrum F4-42-676-6i
Wiley ID 1673717