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2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

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2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID F8QP9LJ6X1q
InChI InChI=1S/C25H23Cl2N3OS2/c1-29-11-10-18-21(14-29)33-23-22(18)24(31)30(12-9-16-5-3-2-4-6-16)25(28-23)32-15-17-7-8-19(26)20(27)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKey VDYVYLHNANCMIC-UHFFFAOYSA-N
Mol Weight 516.51 g/mol
Molecular Formula C25H23Cl2N3OS2
Exact Mass 515.06596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2mrCNQXbTz
Name 2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-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/C25H23Cl2N3OS2/c1-29-11-10-18-21(14-29)33-23-22(18)24(31)30(12-9-16-5-3-2-4-6-16)25(28-23)32-15-17-7-8-19(26)20(27)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKey VDYVYLHNANCMIC-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12098
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801202; Labnumber: AE95-743; VK_ID: VK-012103
Temperature 318 °C