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3-(Benzylthio)-1,5-diphenyl-6-[(2'-chlororobenzyl)amino]1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
SpectraBase Compound ID KLthPxQReN9
InChI InChI=1S/C31H24ClN5OS/c32-26-19-11-10-14-23(26)20-33-31-34-28-27(30(38)36(31)24-15-6-2-7-16-24)29(39-21-22-12-4-1-5-13-22)35-37(28)25-17-8-3-9-18-25/h1-19H,20-21H2,(H,33,34)
InChIKey IXVZNPHBVHROQP-UHFFFAOYSA-N
Mol Weight 550.08 g/mol
Molecular Formula C31H24ClN5OS
Exact Mass 549.139009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0rL541kckl
Name 3-(Benzylthio)-1,5-diphenyl-6-[(2'-chlororobenzyl)amino]1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Alternate Name(s) 6-[(2-chlorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone 3-Benzylsulfanyl-6-[(2-chlorophenyl)methylamino]-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one 3-Benzylsulfanyl-6-[(2-chlorophenyl)methylamino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-[(2-chlorophenyl)methylamino]-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one
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Formula C31H24ClN5OS
InChI InChI=1S/C31H24ClN5OS/c32-26-19-11-10-14-23(26)20-33-31-34-28-27(30(38)36(31)24-15-6-2-7-16-24)29(39-21-22-12-4-1-5-13-22)35-37(28)25-17-8-3-9-18-25/h1-19H,20-21H2,(H,33,34)
InChIKey IXVZNPHBVHROQP-UHFFFAOYSA-N
Molecular Weight 550.080 g/mol
SMILES N(C1=Nc2c(C(=O)N1c1ccccc1)c(SCc1ccccc1)n[n]2-c1ccccc1)Cc1c(Cl)cccc1
SPLASH splash10-004l-9800080000-4f809599e3d6bf941d10
Source of Spectrum AJ-41-396-5
Wiley ID 1567505