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4-[4-(5-fluoro-2-methoxybenzyl)-1-piperazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
SpectraBase Compound ID FPezwHhbzFT
InChI InChI=1S/C22H25FN4OS/c1-28-18-7-6-16(23)12-15(18)13-26-8-10-27(11-9-26)21-20-17-4-2-3-5-19(17)29-22(20)25-14-24-21/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKey RYFZWJKFUMLMRD-UHFFFAOYSA-N
Mol Weight 412.53 g/mol
Molecular Formula C22H25FN4OS
Exact Mass 412.173311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KVVBH4O4JgH
Name 4-[4-(5-fluoro-2-methoxybenzyl)-1-piperazinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-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/C22H25FN4OS/c1-28-18-7-6-16(23)12-15(18)13-26-8-10-27(11-9-26)21-20-17-4-2-3-5-19(17)29-22(20)25-14-24-21/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKey RYFZWJKFUMLMRD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13953
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: D91403; Labnumber: POPOV-4032; SBI_ID: SBI-013956
Synonyms 4-fluoro-2-{[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methyl}phenyl methyl ether
Temperature 303 °C