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4-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine
SpectraBase Compound ID FfP5vbB34wJ
InChI InChI=1S/C22H20N4O2S/c27-19(26-12-10-25(11-13-26)16-6-2-1-3-7-16)14-29-22-21-20(23-15-24-22)17-8-4-5-9-18(17)28-21/h1-9,15H,10-14H2
InChIKey XSAKRAHRDDOCBH-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXjRtA9DlXw
Name 4-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}[1]benzofuro[3,2-d]pyrimidine
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/C22H20N4O2S/c27-19(26-12-10-25(11-13-26)16-6-2-1-3-7-16)14-29-22-21-20(23-15-24-22)17-8-4-5-9-18(17)28-21/h1-9,15H,10-14H2
InChIKey XSAKRAHRDDOCBH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3813
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: D96365; Labnumber: SC_0375-1104; SBI_ID: SBI-003815
Synonyms [1]benzofuro[3,2-d]pyrimidin-4-yl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
Temperature 318 °C