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7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 82aWXTnaHJN
InChI InChI=1S/C22H16F2N6O4S/c1-10-5-14(19(23)24)26-22-16(10)17-18(35-22)21(31)28-20(27-17)11-3-4-15(34-2)12(6-11)8-29-9-13(7-25-29)30(32)33/h3-7,9,19H,8H2,1-2H3,(H,27,28,31)
InChIKey RYCMOZHZLJZKKT-UHFFFAOYSA-N
Mol Weight 498.46 g/mol
Molecular Formula C22H16F2N6O4S
Exact Mass 498.092181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6nRqlzoRKbG
Name 7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-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/C22H16F2N6O4S/c1-10-5-14(19(23)24)26-22-16(10)17-18(35-22)21(31)28-20(27-17)11-3-4-15(34-2)12(6-11)8-29-9-13(7-25-29)30(32)33/h3-7,9,19H,8H2,1-2H3,(H,27,28,31)
InChIKey RYCMOZHZLJZKKT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31232
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: 1748250; SBI_ID: SBI-031236
Temperature 306 °C