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(E)-9-(4-Chlorobenzylidene)-5-(4-chlorophenyl)-7-ethyl-2-(methylthio)-5,6,7,8,9,10-hexahydropyrimido[4,5-b][1,6]naphthyridin-4(3H)-one
SpectraBase Compound ID BVK8hRiWXu6
InChI InChI=1S/C26H24Cl2N4OS/c1-3-32-13-17(12-15-4-8-18(27)9-5-15)23-20(14-32)21(16-6-10-19(28)11-7-16)22-24(29-23)30-26(34-2)31-25(22)33/h4-12,21H,3,13-14H2,1-2H3,(H2,29,30,31,33)/b17-12+
InChIKey AUYFFLDBAMKGGZ-SFQUDFHCSA-N
Mol Weight 511.47 g/mol
Molecular Formula C26H24Cl2N4OS
Exact Mass 510.104788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IquywGnOMAJ
Name (E)-9-(4-Chlorobenzylidene)-5-(4-chlorophenyl)-7-ethyl-2-(methylthio)-5,6,7,8,9,10-hexahydropyrimido[4,5-b][1,6]naphthyridin-4(3H)-one
Alternate Name(s) (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-7-ethyl-2-(methylthio)-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylene]-7-ethyl-2-methylsulfanyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-7-ethyl-2-methylsulfanyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one
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Formula C26H24Cl2N4OS
InChI InChI=1S/C26H24Cl2N4OS/c1-3-32-13-17(12-15-4-8-18(27)9-5-15)23-20(14-32)21(16-6-10-19(28)11-7-16)22-24(29-23)30-26(34-2)31-25(22)33/h4-12,21H,3,13-14H2,1-2H3,(H2,29,30,31,33)/b17-12+
InChIKey AUYFFLDBAMKGGZ-SFQUDFHCSA-N
Molecular Weight 511.471 g/mol
SMILES N1C(C=2C(C3=C(\C(CN(C3)CC)=C\c3ccc(cc3)Cl)NC2N=C1SC)c1ccc(cc1)Cl)=O
SPLASH splash10-08fu-4001090000-80655f477e9f883170e3
Source of Spectrum EMC-60-4-5a
Wiley ID 1735392