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2-[(4,8-dimethyl-2-quinazolinyl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-4(1H)-pyrimidinone
SpectraBase Compound ID FE6iCwpktEX
InChI InChI=1S/C22H21N5OS/c1-13-7-9-17(10-8-13)29-12-16-11-19(28)25-22(24-16)27-21-23-15(3)18-6-4-5-14(2)20(18)26-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKey UQPCRSYSSHTFIA-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ADuOgvVg6P1
Name 2-[(4,8-dimethyl-2-quinazolinyl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}-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/C22H21N5OS/c1-13-7-9-17(10-8-13)29-12-16-11-19(28)25-22(24-16)27-21-23-15(3)18-6-4-5-14(2)20(18)26-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKey UQPCRSYSSHTFIA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7979
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: 128283; Labnumber: VGU-15417; VK_ID: VK-007983
Temperature 308 °C