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3-(benzylthio)-6-[(4-fluorobenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID K8QcmkdOXLU
InChI InChI=1S/C31H24FN5OS/c32-24-18-16-22(17-19-24)20-33-31-34-28-27(30(38)36(31)25-12-6-2-7-13-25)29(39-21-23-10-4-1-5-11-23)35-37(28)26-14-8-3-9-15-26/h1-19H,20-21H2,(H,33,34)
InChIKey FZGNYCANBUWPSZ-UHFFFAOYSA-N
Mol Weight 533.63 g/mol
Molecular Formula C31H24FN5OS
Exact Mass 533.16856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeTGTJ8IGpf
Name 3-(benzylthio)-6-[(4-fluorobenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24FN5OS
InChI InChI=1S/C31H24FN5OS/c32-24-18-16-22(17-19-24)20-33-31-34-28-27(30(38)36(31)25-12-6-2-7-13-25)29(39-21-23-10-4-1-5-11-23)35-37(28)26-14-8-3-9-15-26/h1-19H,20-21H2,(H,33,34)
InChIKey FZGNYCANBUWPSZ-UHFFFAOYSA-N
Molecular Weight 533.625 g/mol
SMILES N(C1=Nc2c(C(=O)N1c1ccccc1)c(SCc1ccccc1)n[n]2-c1ccccc1)Cc1ccc(cc1)F
SPLASH splash10-0k96-9400080000-d55278a6e2ccd7b87eeb
Source of Spectrum AJ-41-396-5
Synonyms 3-Benzylsulfanyl-6-[(4-fluorophenyl)methylamino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-fluorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-fluorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
Wiley ID 1567506