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(5E)-1-(3-methoxyphenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
SpectraBase Compound ID 2FdpxnQGEIQ
InChI InChI=1S/C21H20N2O6S/c1-26-14-7-5-6-13(11-14)23-20(25)15(19(24)22-21(23)30)8-12-9-16(27-2)18(29-4)17(10-12)28-3/h5-11H,1-4H3,(H,22,24,30)/b15-8+
InChIKey BDWUQGKIHDCJOA-OVCLIPMQSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 331Ce73H68d
Name (5E)-1-(3-methoxyphenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Alternate Name(s) (5E)-1-(3-methoxyphenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-quinone (5E)-1-(3-methoxyphenyl)-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]hexahydropyrimidine-4,6-dione
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Formula C21H20N2O6S
InChI InChI=1S/C21H20N2O6S/c1-26-14-7-5-6-13(11-14)23-20(25)15(19(24)22-21(23)30)8-12-9-16(27-2)18(29-4)17(10-12)28-3/h5-11H,1-4H3,(H,22,24,30)/b15-8+
InChIKey BDWUQGKIHDCJOA-OVCLIPMQSA-N
Molecular Weight 428.459 g/mol
SMILES N1C(\C(C(N(C1=S)c1cc(ccc1)OC)=O)=C\c1cc(c(c(c1)OC)OC)OC)=O
SPLASH splash10-002b-8924100000-0155d0b105d2cb2919f6
Wiley ID 1442391