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6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
SpectraBase Compound ID Bbf3FS1JiGX
InChI InChI=1S/C21H18ClN5O2S/c1-12-17-10-15(29-2)5-8-18(17)25-20(23-12)27-21-24-14(9-19(28)26-21)11-30-16-6-3-13(22)4-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKey WBEJLEQBIGKWIQ-UHFFFAOYSA-N
Mol Weight 439.92 g/mol
Molecular Formula C21H18ClN5O2S
Exact Mass 439.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BAFVrGWqQS
Name 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
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/c1-12-17-10-15(29-2)5-8-18(17)25-20(23-12)27-21-24-14(9-19(28)26-21)11-30-16-6-3-13(22)4-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKey WBEJLEQBIGKWIQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7980
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: 128285; Labnumber: VGU-15419; VK_ID: VK-007984
Temperature 308 °C