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6-[N-(4-Bromophenyl)thiocarbamoyl]-1-phenylpyrazolo[3,4-d]-4-(1H)pyrimidinone
SpectraBase Compound ID Al4kCyF5tEB
InChI InChI=1S/C18H14BrN5OS/c19-11-6-8-12(9-7-11)21-18(26)15-22-16-14(17(25)23-15)10-20-24(16)13-4-2-1-3-5-13/h1-10,14,16H,(H,21,26)(H,22,23,25)
InChIKey PQUSWVCHTCEEHV-UHFFFAOYSA-N
Mol Weight 428.31 g/mol
Molecular Formula C18H14BrN5OS
Exact Mass 427.010244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0SIdPtFEoK
Name 6-[N-(4-Bromophenyl)thiocarbamoyl]-1-phenylpyrazolo[3,4-d]-4-(1H)pyrimidinone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14BrN5OS
InChI InChI=1S/C18H14BrN5OS/c19-11-6-8-12(9-7-11)21-18(26)15-22-16-14(17(25)23-15)10-20-24(16)13-4-2-1-3-5-13/h1-10,14,16H,(H,21,26)(H,22,23,25)
InChIKey PQUSWVCHTCEEHV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10042
Molecular Weight 428.308 g/mol
SMILES N1C(C(=S)Nc2ccc(Br)cc2)=NC(C2C1N(N=C2)c1ccccc1)=O
SPLASH splash10-03di-9720100000-514345496381a3a9f44d
Source of Spectrum HAC-13-616-12
Synonyms N-(4-bromophenyl)-4-oxo-1-phenyl-3a,4,7,7a-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-6-carbothioamide
Wiley ID 1783440