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3-(benzylthio)-6-(tert-butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID A9xMBkzKyvE
InChI InChI=1S/C28H27N5OS/c1-28(2,3)30-27-29-24-23(26(34)32(27)21-15-9-5-10-16-21)25(35-19-20-13-7-4-8-14-20)31-33(24)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3,(H,29,30)
InChIKey SIEDUXLBUNQKTO-UHFFFAOYSA-N
Mol Weight 481.62 g/mol
Molecular Formula C28H27N5OS
Exact Mass 481.193632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp5B5tRM6Ja
Name 3-(benzylthio)-6-(tert-butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N5OS
InChI InChI=1S/C28H27N5OS/c1-28(2,3)30-27-29-24-23(26(34)32(27)21-15-9-5-10-16-21)25(35-19-20-13-7-4-8-14-20)31-33(24)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3,(H,29,30)
InChIKey SIEDUXLBUNQKTO-UHFFFAOYSA-N
Molecular Weight 481.618 g/mol
SMILES N(C1=Nc2c(C(N1c1ccccc1)=O)c(SCc1ccccc1)n[n]2-c1ccccc1)C(C)(C)C
SPLASH splash10-002g-9200600000-27694dcb90ede5c7422c
Source of Spectrum AJ-41-396-5
Synonyms 3-Benzylsulfanyl-6-(tert-butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-(tert-butylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-(tert-butylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
Wiley ID 1567512