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2-[5-[(Z)-(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone
SpectraBase Compound ID B1Ijf8X69y
InChI InChI=1S/C22H17N3O5S/c1-24-19(27)16(18(26)23-22(24)31)10-12-7-8-17(30-2)13(9-12)11-25-20(28)14-5-3-4-6-15(14)21(25)29/h3-10H,11H2,1-2H3,(H,23,26,31)/b16-10-
InChIKey MQGLBRQHGMNRKF-YBEGLDIGSA-N
Mol Weight 435.45 g/mol
Molecular Formula C22H17N3O5S
Exact Mass 435.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J4uL7lcyf8
Name 2-[5-[(Z)-(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[[2-methoxy-5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl]methyl]isoindole-1,3-dione 2-[[2-methoxy-5-[(Z)-(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl]methyl]isoindoline-1,3-dione 2-[[2-methoxy-5-[(Z)-[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione
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Formula C22H17N3O5S
InChI InChI=1S/C22H17N3O5S/c1-24-19(27)16(18(26)23-22(24)31)10-12-7-8-17(30-2)13(9-12)11-25-20(28)14-5-3-4-6-15(14)21(25)29/h3-10H,11H2,1-2H3,(H,23,26,31)/b16-10-
InChIKey MQGLBRQHGMNRKF-YBEGLDIGSA-N
Molecular Weight 435.454 g/mol
SMILES N1C(\C(C(N(C1=S)C)=O)=C/c1cc(CN2C(c3ccccc3C2=O)=O)c(cc1)OC)=O
SPLASH splash10-01ta-3890000000-5ba94f514e85d74a5013
Wiley ID 1444326