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2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
SpectraBase Compound ID 1w9sRc5XE9m
InChI InChI=1S/C25H19ClF3N3O3S/c1-12-9-18(25(27,28)29)30-24-19(12)20-21(36-24)23(33)32-22(31-20)13-3-8-17(34-2)14(10-13)11-35-16-6-4-15(26)5-7-16/h3-10,22,31H,11H2,1-2H3,(H,32,33)
InChIKey SDFUUSDARYYCAS-UHFFFAOYSA-N
Mol Weight 533.95 g/mol
Molecular Formula C25H19ClF3N3O3S
Exact Mass 533.078775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KduzWs55GrT
Name 2-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
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/C25H19ClF3N3O3S/c1-12-9-18(25(27,28)29)30-24-19(12)20-21(36-24)23(33)32-22(31-20)13-3-8-17(34-2)14(10-13)11-35-16-6-4-15(26)5-7-16/h3-10,22,31H,11H2,1-2H3,(H,32,33)
InChIKey SDFUUSDARYYCAS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10198
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: UZI/1264686; Labnumber: JVT4125; UZI_ID: UZI-010200
Temperature 308 °C