3-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

SpectraBase Compound ID	1VBNElGx4rr
InChI	InChI=1S/C23H25ClN2O2S2/c1-2-3-13-26-22(28)20-17-7-5-4-6-8-19(17)30-21(20)25-23(26)29-14-18(27)15-9-11-16(24)12-10-15/h9-12H,2-8,13-14H2,1H3
InChIKey	PXWOOHBVQJPAPT-UHFFFAOYSA-N Google Search
Mol Weight	461.04 g/mol
Molecular Formula	C23H25ClN2O2S2
Exact Mass	460.104598 g/mol

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SpectraBase Spectrum ID	EgKNjXOwQJW
Name	3-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-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/C23H25ClN2O2S2/c1-2-3-13-26-22(28)20-17-7-5-4-6-8-19(17)30-21(20)25-23(26)29-14-18(27)15-9-11-16(24)12-10-15/h9-12H,2-8,13-14H2,1H3
InChIKey	PXWOOHBVQJPAPT-UHFFFAOYSA-N
NMR Offset	15.3548
NMR Spectrometer Frequency	300.133
Observed nucleus	1H
Origin	1H_UBI-VK_18310_12085
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: 801227; Labnumber: AE95-770; VK_ID: VK-012090
Temperature	318 °C