acetic acid, [[3-(benzoylamino)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-, phenylmethyl ester

SpectraBase Compound ID	654oD55S3VZ
InChI	InChI=1S/C22H17N3O4S2/c26-18(29-13-15-7-3-1-4-8-15)14-31-22-23-17-11-12-30-19(17)21(28)25(22)24-20(27)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,24,27)
InChIKey	NFUNKLZCHIMNOB-UHFFFAOYSA-N Google Search
Mol Weight	451.52 g/mol
Molecular Formula	C22H17N3O4S2
Exact Mass	451.066048 g/mol

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SpectraBase Spectrum ID	6Lr7TQzMxJO
Name	acetic acid, [[3-(benzoylamino)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-, phenylmethyl ester
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/C22H17N3O4S2/c26-18(29-13-15-7-3-1-4-8-15)14-31-22-23-17-11-12-30-19(17)21(28)25(22)24-20(27)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,24,27)
InChIKey	NFUNKLZCHIMNOB-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_6720
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: NMR/11328330