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4-[2-(4-Flourobenzylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID D5ouwsF9P5j
InChI InChI=1S/C20H17FN6OS/c1-28-16-9-7-15(8-10-16)27-19-17(20(26-27)29-2)18(22-12-23-19)25-24-11-13-3-5-14(21)6-4-13/h3-12H,1-2H3,(H,22,23,25)/b24-11+
InChIKey XICFKEOIMOMSQY-BHGWPJFGSA-N
Mol Weight 408.46 g/mol
Molecular Formula C20H17FN6OS
Exact Mass 408.116859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wuPXH3gggC
Name 4-[2-(4-Flourobenzylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) (E)-4-(2-(4-fluorobenzylidene)hydrazinyl)-1-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine N-[(E)-(4-fluorophenyl)methyleneamino]-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine
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Formula C20H17FN6OS
InChI InChI=1S/C20H17FN6OS/c1-28-16-9-7-15(8-10-16)27-19-17(20(26-27)29-2)18(22-12-23-19)25-24-11-13-3-5-14(21)6-4-13/h3-12H,1-2H3,(H,22,23,25)/b24-11+
InChIKey XICFKEOIMOMSQY-BHGWPJFGSA-N
Molecular Weight 408.455 g/mol
SMILES N(\N=C\c1ccc(cc1)F)c1c2c([n](nc2SC)-c2ccc(cc2)OC)ncn1
SPLASH splash10-05g0-3930300000-71a5aa4560832fb57088
Source of Spectrum EMC-57-327-6l
Wiley ID 1734809