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6-(4-fluorophenethylamino)-3-(methylthio)-1,5-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
SpectraBase Compound ID 7kSFhp3oxL8
InChI InChI=1S/C26H22FN5OS/c1-34-24-22-23(32(30-24)21-10-6-3-7-11-21)29-26(28-17-16-18-12-14-19(27)15-13-18)31(25(22)33)20-8-4-2-5-9-20/h2-15H,16-17H2,1H3,(H,28,29)
InChIKey PDYIOMRAVNEHGM-UHFFFAOYSA-N
Mol Weight 471.55 g/mol
Molecular Formula C26H22FN5OS
Exact Mass 471.15291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pe9c6VOBE
Name 6-(4-fluorophenethylamino)-3-(methylthio)-1,5-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22FN5OS
InChI InChI=1S/C26H22FN5OS/c1-34-24-22-23(32(30-24)21-10-6-3-7-11-21)29-26(28-17-16-18-12-14-19(27)15-13-18)31(25(22)33)20-8-4-2-5-9-20/h2-15H,16-17H2,1H3,(H,28,29)
InChIKey PDYIOMRAVNEHGM-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 471.554 g/mol
SMILES N(C=1N(C(c2c(n[n](c2N1)-c1ccccc1)SC)=O)c1ccccc1)CCc1ccc(cc1)F
SPLASH splash10-062a-3309500000-01412973822d68d4979e
Source of Spectrum CN101775018A
Wiley ID 1841667