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6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
SpectraBase Compound ID 2Dtz2bpWS88
InChI InChI=1S/C21H18ClN5OS/c1-12-3-8-18-17(9-12)13(2)23-20(25-18)27-21-24-15(10-19(28)26-21)11-29-16-6-4-14(22)5-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKey LEMZNLUAYNDWPA-UHFFFAOYSA-N
Mol Weight 423.92 g/mol
Molecular Formula C21H18ClN5OS
Exact Mass 423.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJJ6gapOLSl
Name 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4,6-dimethyl-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/C21H18ClN5OS/c1-12-3-8-18-17(9-12)13(2)23-20(25-18)27-21-24-15(10-19(28)26-21)11-29-16-6-4-14(22)5-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKey LEMZNLUAYNDWPA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6862
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: D27063; Labnumber: VGU-0018770; SBI_ID: SBI-006865
Temperature 308 °C