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5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one

View entire compound with spectra: 1 MS (GC)

5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 5LPf4TnSOOz
InChI InChI=1S/C21H19N3O3S2/c1-3-26-15-11-10-13(12-16(15)27-4-2)18-22-19-17(20(25)23-18)29-21(28)24(19)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,22,23,25)
InChIKey IFGDFTWAJNCHHO-UHFFFAOYSA-N
Mol Weight 425.52 g/mol
Molecular Formula C21H19N3O3S2
Exact Mass 425.086784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0tIh9DG7C4
Name 5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O3S2
InChI InChI=1S/C21H19N3O3S2/c1-3-26-15-11-10-13(12-16(15)27-4-2)18-22-19-17(20(25)23-18)29-21(28)24(19)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,22,23,25)
InChIKey IFGDFTWAJNCHHO-UHFFFAOYSA-N
Molecular Weight 425.521 g/mol
SMILES N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)c1ccc(c(c1)OCC)OCC
SPLASH splash10-016r-0109400000-e6011fd0265293545b48
Synonyms 5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one 5-(3,4-Diethoxyphenyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one 5-(3,4-diethoxyphenyl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one
Wiley ID 1445302