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

SpectraBase Compound ID	8cXZWh0uOoa
InChI	InChI=1S/C28H27N5OS/c1-20(2)18-29-28-30-25-24(27(34)32(28)22-14-8-4-9-15-22)26(35-19-21-12-6-3-7-13-21)31-33(25)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,29,30)
InChIKey	NKXHUGFWKRVYHB-UHFFFAOYSA-N Google Search
Mol Weight	481.62 g/mol
Molecular Formula	C28H27N5OS
Exact Mass	481.193632 g/mol

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SpectraBase Spectrum ID	2yA7opG4BM
Name	3-(benzylthio)-6-(isobutylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Alternate Name(s)	3-Benzylsulfanyl-6-(2-methylpropylamino)-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one 3-Benzylsulfanyl-6-(isobutylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-(2-Methylpropylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-(2-Methylpropylamino)-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/c1-20(2)18-29-28-30-25-24(27(34)32(28)22-14-8-4-9-15-22)26(35-19-21-12-6-3-7-13-21)31-33(25)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,29,30)
InChIKey	NKXHUGFWKRVYHB-UHFFFAOYSA-N
Molecular Weight	481.618 g/mol
SMILES	N(C1=Nc2c(C(N1c1ccccc1)=O)c(n[n]2-c1ccccc1)SCc1ccccc1)CC(C)C
SPLASH	splash10-0005-9300800000-d03b8519de6815709e5f
Source of Spectrum	AJ-41-396-5
Wiley ID	1567513