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1,5-Diphenyl-3-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID 246mhqwTkSh
InChI InChI=1S/C27H25N5OS/c1-19(2)28-27-29-24-23(26(33)31(27)21-14-8-4-9-15-21)25(34-18-20-12-6-3-7-13-20)30-32(24)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,28,29)
InChIKey FDWHRKCYYYWZDP-UHFFFAOYSA-N
Mol Weight 467.59 g/mol
Molecular Formula C27H25N5OS
Exact Mass 467.177982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OcKrXZvUJI
Name 1,5-Diphenyl-3-(phenylmethylsulfanyl)-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5OS
InChI InChI=1S/C27H25N5OS/c1-19(2)28-27-29-24-23(26(33)31(27)21-14-8-4-9-15-21)25(34-18-20-12-6-3-7-13-20)30-32(24)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,28,29)
InChIKey FDWHRKCYYYWZDP-UHFFFAOYSA-N
Molecular Weight 467.591 g/mol
SMILES N(C1=Nc2c(C(N1c1ccccc1)=O)c(n[n]2-c1ccccc1)SCc1ccccc1)C(C)C
SPLASH splash10-014i-7000900000-00aff784c8d7cc177d54
Source of Spectrum AJ-41-395-5
Synonyms 1,5-Diphenyl-3-(phenylmethylthio)-6-(propan-2-ylamino)-4-pyrazolo[3,4-d]pyrimidinone 3-(benzylthio)-6-(isopropylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 3-Benzylsulfanyl-1,5-diphenyl-6-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-4-one 3-Benzylsulfanyl-6-(isopropylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Wiley ID 1567515