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(E)-7-Ethyl-2-(methylthio)-9-(4-nitrobenzylidene)-5-(4-nitrophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b][1,6]naphthyridin-4(3H,5H,10H)-one
SpectraBase Compound ID 93Fqaaol9hn
InChI InChI=1S/C26H24N6O5S/c1-3-30-13-17(12-15-4-8-18(9-5-15)31(34)35)23-20(14-30)21(16-6-10-19(11-7-16)32(36)37)22-24(27-23)28-26(38-2)29-25(22)33/h4-12,21H,3,13-14H2,1-2H3,(H2,27,28,29,33)/b17-12+
InChIKey KNCUWVHZALHNKH-SFQUDFHCSA-N
Mol Weight 532.58 g/mol
Molecular Formula C26H24N6O5S
Exact Mass 532.152889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GD5OXIWoa
Name (E)-7-Ethyl-2-(methylthio)-9-(4-nitrobenzylidene)-5-(4-nitrophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b][1,6]naphthyridin-4(3H,5H,10H)-one
Alternate Name(s) (E)-7-ethyl-2-(methylthio)-9-(4-nitrobenzylidene)-5-(4-nitrophenyl)-5,6,7,8,9,10-hexahydropyrimido[4,5-b][1,6]naphthyridin-4(3H)-one (9E)-7-ethyl-2-(methylthio)-5-(4-nitrophenyl)-9-[(4-nitrophenyl)methylidene]-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one (9E)-7-ethyl-2-methylsulfanyl-5-(4-nitrophenyl)-9-[(4-nitrophenyl)methylene]-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one (9E)-7-ethyl-2-methylsulfanyl-5-(4-nitrophenyl)-9-[(4-nitrophenyl)methylidene]-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b][1,6]naphthyridin-4-one
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Formula C26H24N6O5S
InChI InChI=1S/C26H24N6O5S/c1-3-30-13-17(12-15-4-8-18(9-5-15)31(34)35)23-20(14-30)21(16-6-10-19(11-7-16)32(36)37)22-24(27-23)28-26(38-2)29-25(22)33/h4-12,21H,3,13-14H2,1-2H3,(H2,27,28,29,33)/b17-12+
InChIKey KNCUWVHZALHNKH-SFQUDFHCSA-N
Molecular Weight 532.575 g/mol
SMILES N1C(C=2C(C3=C(\C(CN(C3)CC)=C\c3ccc(N(=O)=O)cc3)NC2N=C1SC)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a4l-9100000000-b77f03ed34cc4f5f5ce4
Source of Spectrum EMC-60-4-5c
Wiley ID 1735391