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

View entire compound with spectra: 1 NMR

2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID LoLOLAW5afU
InChI InChI=1S/C22H16ClN7S/c1-12-7-13(2)26-22-17(12)18-19(31-22)21-27-20(28-30(21)11-24-18)15-5-3-14(4-6-15)9-29-10-16(23)8-25-29/h3-8,10-11H,9H2,1-2H3
InChIKey BFWAJTGFYYBGPW-UHFFFAOYSA-N
Mol Weight 445.93 g/mol
Molecular Formula C22H16ClN7S
Exact Mass 445.087642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NuBjrva2R0
Name 2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-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/C22H16ClN7S/c1-12-7-13(2)26-22-17(12)18-19(31-22)21-27-20(28-30(21)11-24-18)15-5-3-14(4-6-15)9-29-10-16(23)8-25-29/h3-8,10-11H,9H2,1-2H3
InChIKey BFWAJTGFYYBGPW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31963
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: 1844405; SBI_ID: SBI-031967
Temperature 318 °C