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2-Amino-4-phenylaminobenzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxide
SpectraBase Compound ID EChVTFobczi
InChI InChI=1S/C16H12N4O2S/c17-16-19-13-11-8-4-5-9-12(11)23(21,22)14(13)15(20-16)18-10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20)
InChIKey QXTHEWFPVGRFGY-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C16H12N4O2S
Exact Mass 324.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSiZbcFEj1
Name 2-Amino-4-phenylaminobenzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxide
Appearance Colorless needles
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Formula C16H12N4O2S
InChI InChI=1S/C16H12N4O2S/c17-16-19-13-11-8-4-5-9-12(11)23(21,22)14(13)15(20-16)18-10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20)
InChIKey QXTHEWFPVGRFGY-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.28
Molecular Weight 324.358 g/mol
SMILES Nc1nc2-c3ccccc3S(c2c(n1)Nc1ccccc1)(=O)=O
SPLASH splash10-00di-0039000000-e635a55bd84aa1531316
Source of Spectrum BJO-8-272-3e
Wiley ID 1867354