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2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
SpectraBase Compound ID JfPzd198871
InChI InChI=1S/C21H25N5O2S/c1-16(17-8-4-3-5-9-17)22-20-18-10-6-7-11-19(18)23-21(24-20)25-12-14-26(15-13-25)29(2,27)28/h3-11,16H,12-15H2,1-2H3,(H,22,23,24)
InChIKey JFXSYJJCDCLNHT-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C21H25N5O2S
Exact Mass 411.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRtHWOZ56n8
Name 2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
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/C21H25N5O2S/c1-16(17-8-4-3-5-9-17)22-20-18-10-6-7-11-19(18)23-21(24-20)25-12-14-26(15-13-25)29(2,27)28/h3-11,16H,12-15H2,1-2H3,(H,22,23,24)
InChIKey JFXSYJJCDCLNHT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24298
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: D46426; Labnumber: SPKUZ-2447; SBI_ID: SBI-024302
Synonyms N-{2-[4-(methylsulfonyl)-1-piperazinyl]-4-quinazolinyl}-N-(1-phenylethyl)amine
Temperature 303 °C