N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

SpectraBase Compound ID	1saVCmmyFTq
InChI	InChI=1S/C21H18ClN5O2S/c1-13-8-17(18(29-2)9-16(13)22)26-19(28)11-30-21-15-10-25-27(20(15)23-12-24-21)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey	ORBCPEGGOUMJMM-UHFFFAOYSA-N Google Search
Mol Weight	439.92 g/mol
Molecular Formula	C21H18ClN5O2S
Exact Mass	439.086974 g/mol

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SpectraBase Spectrum ID	54bFbKW8dXO
Name	N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H18ClN5O2S/c1-13-8-17(18(29-2)9-16(13)22)26-19(28)11-30-21-15-10-25-27(20(15)23-12-24-21)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey	ORBCPEGGOUMJMM-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9880
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D62131; Labnumber: UDSG-05781; SBI_ID: SBI-009883
Temperature	315 °C