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

View entire compound with spectra: 1 NMR

2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
SpectraBase Compound ID KeUjGwacWNw
InChI InChI=1S/C22H17F3N6O4S/c1-10-5-15(22(23,24)25)27-21-16(10)17-18(36-21)20(32)29-19(28-17)11-3-4-14(35-2)12(6-11)8-30-9-13(7-26-30)31(33)34/h3-7,9,19,28H,8H2,1-2H3,(H,29,32)
InChIKey XJTZMRWGPNQGDY-UHFFFAOYSA-N
Mol Weight 518.47 g/mol
Molecular Formula C22H17F3N6O4S
Exact Mass 518.098409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5bacBdsd2pN
Name 2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-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/C22H17F3N6O4S/c1-10-5-15(22(23,24)25)27-21-16(10)17-18(36-21)20(32)29-19(28-17)11-3-4-14(35-2)12(6-11)8-30-9-13(7-26-30)31(33)34/h3-7,9,19,28H,8H2,1-2H3,(H,29,32)
InChIKey XJTZMRWGPNQGDY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10192
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/1267805; Labnumber: JVT4102; UZI_ID: UZI-010194
Temperature 308 °C