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3-(benzylthio)-6-(butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID K3okwykNh2G
InChI InChI=1S/C28H27N5OS/c1-2-3-19-29-28-30-25-24(27(34)32(28)22-15-9-5-10-16-22)26(35-20-21-13-7-4-8-14-21)31-33(25)23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,29,30)
InChIKey FEGHDLNXMGVOGO-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 I2FHNO6ynjy
Name 3-(benzylthio)-6-(butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Alternate Name(s) 3-Benzylsulfanyl-6-(butylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-(butylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-(butylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
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Formula C28H27N5OS
InChI InChI=1S/C28H27N5OS/c1-2-3-19-29-28-30-25-24(27(34)32(28)22-15-9-5-10-16-22)26(35-20-21-13-7-4-8-14-21)31-33(25)23-17-11-6-12-18-23/h4-18H,2-3,19-20H2,1H3,(H,29,30)
InChIKey FEGHDLNXMGVOGO-UHFFFAOYSA-N
Molecular Weight 481.618 g/mol
SMILES N(C1=Nc2c(C(N1c1ccccc1)=O)c(n[n]2-c1ccccc1)SCc1ccccc1)CCCC
SPLASH splash10-00ne-6300900000-7f980faaa5ea89ba9920
Source of Spectrum AJ-41-396-5
Wiley ID 1567514