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2-Amino-4-benzylaminobenzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxide
SpectraBase Compound ID 2i2WDJLNC2W
InChI InChI=1S/C17H14N4O2S/c18-17-20-14-12-8-4-5-9-13(12)24(22,23)15(14)16(21-17)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,18,19,20,21)
InChIKey MZDMNQNJXGRZNT-UHFFFAOYSA-N
Mol Weight 338.38 g/mol
Molecular Formula C17H14N4O2S
Exact Mass 338.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoUUnNd6BP6
Name 2-Amino-4-benzylaminobenzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxide
Appearance Colorless needles
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Formula C17H14N4O2S
InChI InChI=1S/C17H14N4O2S/c18-17-20-14-12-8-4-5-9-13(12)24(22,23)15(14)16(21-17)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,18,19,20,21)
InChIKey MZDMNQNJXGRZNT-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.28
Molecular Weight 338.385 g/mol
SMILES Nc1nc2-c3ccccc3S(c2c(n1)NCc1ccccc1)(=O)=O
SPLASH splash10-0fe0-1009000000-f49a06e5862055e6904d
Source of Spectrum BJO-8-272-3c
Wiley ID 1867352