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(S)-3-(benzylthio)-1,5-diphenyl-6-(1-phenylethylamino)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
SpectraBase Compound ID A2SIIqnmqhh
InChI InChI=1S/C32H27N5OS/c1-23(25-16-8-3-9-17-25)33-32-34-29-28(31(38)36(32)26-18-10-4-11-19-26)30(39-22-24-14-6-2-7-15-24)35-37(29)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3,(H,33,34)/t23-/m0/s1
InChIKey NRSZOVHHUKJIQD-QHCPKHFHSA-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 21hQd2j0LI
Name (S)-3-(benzylthio)-1,5-diphenyl-6-(1-phenylethylamino)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27N5OS
InChI InChI=1S/C32H27N5OS/c1-23(25-16-8-3-9-17-25)33-32-34-29-28(31(38)36(32)26-18-10-4-11-19-26)30(39-22-24-14-6-2-7-15-24)35-37(29)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3,(H,33,34)/t23-/m0/s1
InChIKey NRSZOVHHUKJIQD-QHCPKHFHSA-N
Ionization Type EI
Molecular Weight 529.662 g/mol
SMILES N(C=1N(C(c2c(n[n](c2N1)-c1ccccc1)SCc1ccccc1)=O)c1ccccc1)[C@@](C)(c1ccccc1)[H]
SPLASH splash10-0fbd-5603970000-49a1ad535b0a90220976
Source of Spectrum CN101775018A
Wiley ID 1841669