5-pyrimidinecarboxylic acid, 4-amino-2-[[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-, ethyl ester

SpectraBase Compound ID	3hdu3c3xfh2
InChI	InChI=1S/C17H22N4O3S/c1-5-21-10(3)7-12(11(21)4)14(22)9-25-17-19-8-13(15(18)20-17)16(23)24-6-2/h7-8H,5-6,9H2,1-4H3,(H2,18,19,20)
InChIKey	DBBHPCCUFINFAK-UHFFFAOYSA-N Google Search
Mol Weight	362.45 g/mol
Molecular Formula	C17H22N4O3S
Exact Mass	362.141262 g/mol

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SpectraBase Spectrum ID	EUDbAmJOBcR
Name	5-pyrimidinecarboxylic acid, 4-amino-2-[[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-, ethyl 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/C17H22N4O3S/c1-5-21-10(3)7-12(11(21)4)14(22)9-25-17-19-8-13(15(18)20-17)16(23)24-6-2/h7-8H,5-6,9H2,1-4H3,(H2,18,19,20)
InChIKey	DBBHPCCUFINFAK-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_6379
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: F28418; Labnumber: ALEKS1-28878