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2-{[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID FNed2l4of2q
InChI InChI=1S/C25H21F3N4O2S2/c26-25(27,28)17-6-2-3-7-18(17)30-20(33)14-35-24-31-22-21(16-5-1-4-8-19(16)36-22)23(34)32(24)13-15-9-11-29-12-10-15/h2-3,6-7,9-12H,1,4-5,8,13-14H2,(H,30,33)
InChIKey OQXPVPFFFMVVEH-UHFFFAOYSA-N
Mol Weight 530.58 g/mol
Molecular Formula C25H21F3N4O2S2
Exact Mass 530.105803 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Enoc8qxpY
Name 2-{[4-oxo-3-(4-pyridinylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
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/C25H21F3N4O2S2/c26-25(27,28)17-6-2-3-7-18(17)30-20(33)14-35-24-31-22-21(16-5-1-4-8-19(16)36-22)23(34)32(24)13-15-9-11-29-12-10-15/h2-3,6-7,9-12H,1,4-5,8,13-14H2,(H,30,33)
InChIKey OQXPVPFFFMVVEH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8066
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/1270086; Labnumber: COL6708; UZI_ID: UZI-008068
Temperature 306 °C