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1,3-dimethyl-5-sulfanylidene-10H-pyrimido[4,5-b]quinoline-2,4-dione
SpectraBase Compound ID 91xjtjw7BC4
InChI InChI=1S/C13H11N3O2S/c1-15-11-9(12(17)16(2)13(15)18)10(19)7-5-3-4-6-8(7)14-11/h3-6H,1-2H3,(H,14,19)
InChIKey BXARBJOTZGDNTP-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C13H11N3O2S
Exact Mass 273.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m3jDYt0BPX
Name 1,3-dimethyl-5-sulfanylidene-10H-pyrimido[4,5-b]quinoline-2,4-dione
Comments Removed - expert review: contamination (sulfur))
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Formula C13H11N3O2S
InChI InChI=1S/C13H11N3O2S/c1-15-11-9(12(17)16(2)13(15)18)10(19)7-5-3-4-6-8(7)14-11/h3-6H,1-2H3,(H,14,19)
InChIKey BXARBJOTZGDNTP-UHFFFAOYSA-N
Molecular Weight 273.310 g/mol
SMILES Sc1c2C(N(C(N(C)c2nc2c1cccc2)=O)C)=O
SPLASH splash10-0a4i-0190000000-c7c8b9dfc00ee79a353d
Source of Spectrum Y-28-1253-24
Synonyms 1,3-dimethyl-5-sulfanylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione 1,3-dimethyl-5-thioxo-10H-pyrimido[4,5-b]quinoline-2,4-dione 1,3-dimethyl-5-thioxo-10H-pyrimido[4,5-b]quinoline-2,4-quinone
Wiley ID 1277082