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3-(2-mercaptoethyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SpectraBase Compound ID 3so6k2iOZZi
InChI InChI=1S/C14H12N2O2S2/c17-13-10-8-11(9-4-2-1-3-5-9)20-12(10)15-14(18)16(13)6-7-19/h1-5,8,19H,6-7H2,(H,15,18)
InChIKey FJCQNNMSORSIKV-UHFFFAOYSA-N
Mol Weight 304.38 g/mol
Molecular Formula C14H12N2O2S2
Exact Mass 304.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFfUHVn8TWm
Name 3-(2-mercaptoethyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
Alternate Name(s) 3-(2-mercaptoethyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-quinone 6-Phenyl-3-(2-sulfanylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
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Formula C14H12N2O2S2
InChI InChI=1S/C14H12N2O2S2/c17-13-10-8-11(9-4-2-1-3-5-9)20-12(10)15-14(18)16(13)6-7-19/h1-5,8,19H,6-7H2,(H,15,18)
InChIKey FJCQNNMSORSIKV-UHFFFAOYSA-N
Molecular Weight 304.382 g/mol
SMILES N1C(N(CCS)C(c2c1sc(c2)-c1ccccc1)=O)=O
SPLASH splash10-0udj-0092000000-3302629b03a06d4e9cc2
Source of Spectrum D8-328-232-3
Wiley ID 1515754