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3-(benzylthio)-6-[(2-fluorobenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID BBumNc4XQbc
InChI InChI=1S/C31H24FN5OS/c32-26-19-11-10-14-23(26)20-33-31-34-28-27(30(38)36(31)24-15-6-2-7-16-24)29(39-21-22-12-4-1-5-13-22)35-37(28)25-17-8-3-9-18-25/h1-19H,20-21H2,(H,33,34)
InChIKey WQDYZUVREGZKAA-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 HdY1XWsBadm
Name 3-(benzylthio)-6-[(2-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/c32-26-19-11-10-14-23(26)20-33-31-34-28-27(30(38)36(31)24-15-6-2-7-16-24)29(39-21-22-12-4-1-5-13-22)35-37(28)25-17-8-3-9-18-25/h1-19H,20-21H2,(H,33,34)
InChIKey WQDYZUVREGZKAA-UHFFFAOYSA-N
Molecular Weight 533.625 g/mol
SMILES N(C1=Nc2c(C(=O)N1c1ccccc1)c(SCc1ccccc1)n[n]2-c1ccccc1)Cc1c(F)cccc1
SPLASH splash10-0k96-9401080000-69624ff4ce50c639d1e7
Source of Spectrum AJ-41-396-5
Synonyms 3-Benzylsulfanyl-6-[(2-fluorophenyl)methylamino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-[(2-fluorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-[(2-fluorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
Wiley ID 1567507