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4-[2-(2-Chloro-4-nitrobenzylidene)hydrazinyl]-3-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID JQHjlHwiMQW
InChI InChI=1S/C19H14ClN7O2S/c1-30-19-16-17(24-23-10-12-7-8-14(27(28)29)9-15(12)20)21-11-22-18(16)26(25-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,24)/b23-10+
InChIKey IMGMRNBWMYUGAS-AUEPDCJTSA-N
Mol Weight 439.88 g/mol
Molecular Formula C19H14ClN7O2S
Exact Mass 439.061822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Uklp9TcCh8
Name 4-[2-(2-Chloro-4-nitrobenzylidene)hydrazinyl]-3-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClN7O2S
InChI InChI=1S/C19H14ClN7O2S/c1-30-19-16-17(24-23-10-12-7-8-14(27(28)29)9-15(12)20)21-11-22-18(16)26(25-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,24)/b23-10+
InChIKey IMGMRNBWMYUGAS-AUEPDCJTSA-N
Molecular Weight 439.881 g/mol
SMILES N(\N=C\c1c(cc(N(=O)=O)cc1)Cl)c1c2c([n](nc2SC)-c2ccccc2)ncn1
SPLASH splash10-056r-5090200000-9a6978123328e72c2c78
Source of Spectrum EMC-57-327-6i
Synonyms (E)-4-(2-(2-chloro-4-nitrobenzylidene)hydrazinyl)-3-(methylthio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine N-[(E)-(2-chloro-4-nitrophenyl)methylideneamino]-3-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine N-[(E)-(2-chloro-4-nitrophenyl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine N-[(E)-(2-chloro-4-nitro-phenyl)methyleneamino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(E)-(2-chloranyl-4-nitro-phenyl)methylideneamino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
Wiley ID 1734812