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Dimethyl 2-phenyl-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate
SpectraBase Compound ID Da5yjHVkbjg
InChI InChI=1S/C18H15N3O5S2/c1-24-15(22)12-14(27)21-13(11-7-4-3-5-8-11)26-18(12,16(23)25-2)28-17-19-9-6-10-20-17/h3-10,12H,1-2H3
InChIKey GEZZENCOERNCBV-UHFFFAOYSA-N
Mol Weight 417.45 g/mol
Molecular Formula C18H15N3O5S2
Exact Mass 417.045313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EUCuaV36u
Name Dimethyl 2-phenyl-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate
Alternate Name(s) 2-Phenyl-6-(2-pyrimidinylthio)-4-sulfanylidene-5H-1,3-oxazine-5,6-dicarboxylic acid dimethyl ester Dimethyl 2-phenyl-6-pyrimidin-2-ylsulfanyl-4-thioxo-5H-1,3-oxazine-5,6-dicarboxylate Dimethyl 2-phenyl-6-pyrimidin-2-ylsulfanyl-4-sulfanylidene-5H-1,3-oxazine-5,6-dicarboxylate
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Formula C18H15N3O5S2
InChI InChI=1S/C18H15N3O5S2/c1-24-15(22)12-14(27)21-13(11-7-4-3-5-8-11)26-18(12,16(23)25-2)28-17-19-9-6-10-20-17/h3-10,12H,1-2H3
InChIKey GEZZENCOERNCBV-UHFFFAOYSA-N
Molecular Weight 417.454 g/mol
SMILES C1(OC(c2ccccc2)=NC(C1C(=O)OC)=S)(Sc1ncccn1)C(=O)OC
SPLASH splash10-06r2-1920000000-85229a62294002820dad
Source of Spectrum Y-50-1393-5c
Wiley ID 1741088