3-(Benzylthio)-6-[(2-methylbenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-D]pyrimidin-4-one

SpectraBase Compound ID	FniVaX5MLp3
InChI	InChI=1S/C32H27N5OS/c1-23-13-11-12-16-25(23)21-33-32-34-29-28(31(38)36(32)26-17-7-3-8-18-26)30(39-22-24-14-5-2-6-15-24)35-37(29)27-19-9-4-10-20-27/h2-20H,21-22H2,1H3,(H,33,34)
InChIKey	SZAIRTOFZRCOQA-UHFFFAOYSA-N Google Search
Mol Weight	529.7 g/mol
Molecular Formula	C32H27N5OS
Exact Mass	529.193632 g/mol

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SpectraBase Spectrum ID	HUnGyDgET1N
Name	3-(Benzylthio)-6-[(2-methylbenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-D]pyrimidin-4-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	529.193631682 u
Formula	C32H27N5OS
InChI	InChI=1S/C32H27N5OS/c1-23-13-11-12-16-25(23)21-33-32-34-29-28(31(38)36(32)26-17-7-3-8-18-26)30(39-22-24-14-5-2-6-15-24)35-37(29)27-19-9-4-10-20-27/h2-20H,21-22H2,1H3,(H,33,34)
InChIKey	SZAIRTOFZRCOQA-UHFFFAOYSA-N
Molecular Weight	529.662 g/mol
SMILES	C12=C(C(=O)N(C(=N2)NCC=2C(C)=CC=CC2)C=2C=CC=CC2)C(SCC=2C=CC=CC2)=NN1C1=CC=CC=C1