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Methanone, [6-acetyl-3-amino-5,6,7,8-tetrahydro-4-(trifluoromethyl)thieno[2,3-b][1,6]naphthyridin-2-yl](4-fluorophenyl)-
SpectraBase Compound ID EUbcAeUZMq1
InChI InChI=1S/C20H15F4N3O2S/c1-9(28)27-7-6-13-12(8-27)15(20(22,23)24)14-16(25)18(30-19(14)26-13)17(29)10-2-4-11(21)5-3-10/h2-5H,6-8,25H2,1H3
InChIKey PPVDQJUTCPXVLG-UHFFFAOYSA-N
Mol Weight 437.41 g/mol
Molecular Formula C20H15F4N3O2S
Exact Mass 437.082111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJNoinfItDq
Name Methanone, [6-acetyl-3-amino-5,6,7,8-tetrahydro-4-(trifluoromethyl)thieno[2,3-b][1,6]naphthyridin-2-yl](4-fluorophenyl)-
Alternate Name(s) 1-[3-amino-2-[(4-fluorophenyl)-oxomethyl]-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-6-yl]ethanone 1-[3-azanyl-2-(4-fluorophenyl)carbonyl-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-6-yl]ethanone
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Formula C20H15F4N3O2S
InChI InChI=1S/C20H15F4N3O2S/c1-9(28)27-7-6-13-12(8-27)15(20(22,23)24)14-16(25)18(30-19(14)26-13)17(29)10-2-4-11(21)5-3-10/h2-5H,6-8,25H2,1H3
InChIKey PPVDQJUTCPXVLG-UHFFFAOYSA-N
Molecular Weight 437.413 g/mol
SMILES Nc1c(sc2c1c(c1c(n2)CCN(C1)C(C)=O)C(F)(F)F)C(=O)c1ccc(cc1)F
SPLASH splash10-0006-9412100000-6082db414893ca4a4a3b
Source of Spectrum IY-1-4584-5
Wiley ID 1653828