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2-[N-(4-Bromophenyl)thiocarbamoyl]-5,6,7,8-tetrahydro[b]thieno-4-(1H)pyrimidinone
SpectraBase Compound ID DUISr0DCTbi
InChI InChI=1S/C17H14BrN3OS2/c18-9-5-7-10(8-6-9)19-16(23)14-20-15(22)13-11-3-1-2-4-12(11)24-17(13)21-14/h5-8H,1-4H2,(H,19,23)(H,20,21,22)
InChIKey MJDZBBLCVWFXEN-UHFFFAOYSA-N
Mol Weight 420.34 g/mol
Molecular Formula C17H14BrN3OS2
Exact Mass 418.976167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPJ0lw1gern
Name 2-[N-(4-Bromophenyl)thiocarbamoyl]-5,6,7,8-tetrahydro[b]thieno-4-(1H)pyrimidinone
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Formula C17H14BrN3OS2
InChI InChI=1S/C17H14BrN3OS2/c18-9-5-7-10(8-6-9)19-16(23)14-20-15(22)13-11-3-1-2-4-12(11)24-17(13)21-14/h5-8H,1-4H2,(H,19,23)(H,20,21,22)
InChIKey MJDZBBLCVWFXEN-UHFFFAOYSA-N
Molecular Weight 420.343 g/mol
SMILES N1C(C(=S)Nc2ccc(cc2)Br)=NC(=O)c2c1sc1c2CCCC1
SPLASH splash10-0ce9-0970000000-e622985add533943b4cc
Source of Spectrum HAC-13-616-14
Synonyms N-(4-bromophenyl)-4-oxo-1,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carbothioamide
Wiley ID 1783441