SpectraBase Spectrum ID |
31XwWjc1t7t |
Name |
methyl 4-[({[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate |
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/C22H19N5O3S/c1-14-3-9-17(10-4-14)27-20-18(11-25-27)21(24-13-23-20)31-12-19(28)26-16-7-5-15(6-8-16)22(29)30-2/h3-11,13H,12H2,1-2H3,(H,26,28) |
InChIKey |
UDKRJFRXIJSHJX-UHFFFAOYSA-N |
NMR Offset |
15.5012 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_9920 |
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: D62194; Labnumber: UDSG-05860; SBI_ID: SBI-009923 |
Temperature |
315 °C |