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3-(benzylthio)-6-[(4-methylbenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID 8XA6K1Lc2gq
InChI InChI=1S/C32H27N5OS/c1-23-17-19-24(20-18-23)21-33-32-34-29-28(31(38)36(32)26-13-7-3-8-14-26)30(39-22-25-11-5-2-6-12-25)35-37(29)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3,(H,33,34)
InChIKey PLERWGNZSMKNHV-UHFFFAOYSA-N
Mol Weight 529.7 g/mol
Molecular Formula C32H27N5OS
Exact Mass 529.193632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IriahzMfqNS
Name 3-(benzylthio)-6-[(4-methylbenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Alternate Name(s) 3-Benzylsulfanyl-1,5-diphenyl-6-(p-tolylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one 3-Benzylsulfanyl-6-[(4-methylphenyl)methylamino]-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one 6-[(4-methylphenyl)methylamino]-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-methylphenyl)methylamino]-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
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Formula C32H27N5OS
InChI InChI=1S/C32H27N5OS/c1-23-17-19-24(20-18-23)21-33-32-34-29-28(31(38)36(32)26-13-7-3-8-14-26)30(39-22-25-11-5-2-6-12-25)35-37(29)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3,(H,33,34)
InChIKey PLERWGNZSMKNHV-UHFFFAOYSA-N
Molecular Weight 529.662 g/mol
SMILES N(C1=Nc2c(C(=O)N1c1ccccc1)c(SCc1ccccc1)n[n]2-c1ccccc1)Cc1ccc(cc1)C
SPLASH splash10-0a4l-6900310000-57f62c0a7c07eec9c3a8
Source of Spectrum AJ-41-396-5
Wiley ID 1567508