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2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID BMm8UKI5Eqc
InChI InChI=1S/C22H20ClN5O2S/c1-15-6-8-17(9-7-15)25-20(29)14-31-22-26-19-5-3-2-4-18(19)21(30)28(22)11-10-27-13-16(23)12-24-27/h2-9,12-13H,10-11,14H2,1H3,(H,25,29)
InChIKey ATHLUWBHSZYBRS-UHFFFAOYSA-N
Mol Weight 453.95 g/mol
Molecular Formula C22H20ClN5O2S
Exact Mass 453.102624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCh2HcLIIPs
Name 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(4-methylphenyl)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/C22H20ClN5O2S/c1-15-6-8-17(9-7-15)25-20(29)14-31-22-26-19-5-3-2-4-18(19)21(30)28(22)11-10-27-13-16(23)12-24-27/h2-9,12-13H,10-11,14H2,1H3,(H,25,29)
InChIKey ATHLUWBHSZYBRS-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30745
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: 1724817; SBI_ID: SBI-030749
Temperature 303 °C