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3-(benzylthio)-6-(diethylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

3-(benzylthio)-6-(diethylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID 6QCEh48K1nK
InChI InChI=1S/C28H27N5OS/c1-3-31(4-2)28-29-25-24(27(34)32(28)22-16-10-6-11-17-22)26(35-20-21-14-8-5-9-15-21)30-33(25)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKey RAUGEKHUEBYEEK-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 K7Y8nhE3imC
Name 3-(benzylthio)-6-(diethylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Alternate Name(s) 3-Benzylsulfanyl-6-(diethylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-(diethylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-(diethylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N5OS
InChI InChI=1S/C28H27N5OS/c1-3-31(4-2)28-29-25-24(27(34)32(28)22-16-10-6-11-17-22)26(35-20-21-14-8-5-9-15-21)30-33(25)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKey RAUGEKHUEBYEEK-UHFFFAOYSA-N
Molecular Weight 481.618 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)c(n[n]2-c1ccccc1)SCc1ccccc1)N(CC)CC
SPLASH splash10-0035-7100900000-003ca28d3142b24253e0
Source of Spectrum AJ-41-396-5
Wiley ID 1567511