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2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID H7fZsHKme8S
InChI InChI=1S/C27H22ClN5O2S/c1-14-10-19(6-7-20(14)28)35-12-18-11-17(5-8-21(18)34-4)25-31-26-24-23(29-13-33(26)32-25)22-15(2)9-16(3)30-27(22)36-24/h5-11,13H,12H2,1-4H3
InChIKey GUHWKYGDZHMJNI-UHFFFAOYSA-N
Mol Weight 516.02 g/mol
Molecular Formula C27H22ClN5O2S
Exact Mass 515.118274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8piMTvyTlNP
Name 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]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/C27H22ClN5O2S/c1-14-10-19(6-7-20(14)28)35-12-18-11-17(5-8-21(18)34-4)25-31-26-24-23(29-13-33(26)32-25)22-15(2)9-16(3)30-27(22)36-24/h5-11,13H,12H2,1-4H3
InChIKey GUHWKYGDZHMJNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31981
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: 1844429; SBI_ID: SBI-031985
Temperature 318 °C