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2-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-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-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID DANmElt7esj
InChI InChI=1S/C18H16ClN7S/c1-8-5-9(2)21-18-13(8)15-16(27-18)17-22-12(24-26(17)7-20-15)6-25-11(4)14(19)10(3)23-25/h5,7H,6H2,1-4H3
InChIKey MXXOYQDEKVNQKL-UHFFFAOYSA-N
Mol Weight 397.89 g/mol
Molecular Formula C18H16ClN7S
Exact Mass 397.087642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4PIxvJPJ4bE
Name 2-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-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/C18H16ClN7S/c1-8-5-9(2)21-18-13(8)15-16(27-18)17-22-12(24-26(17)7-20-15)6-25-11(4)14(19)10(3)23-25/h5,7H,6H2,1-4H3
InChIKey MXXOYQDEKVNQKL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30797
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: 1727802; SBI_ID: SBI-030801
Temperature 308 °C