2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

SpectraBase Compound ID	H3WXMkSUYHe
InChI	InChI=1S/C18H20N6O2S2/c1-4-13(16(26)21-17-23-22-11(3)27-17)28-18-20-15(25)9-14(19)24(18)12-7-5-6-10(2)8-12/h5-9,13H,4,19H2,1-3H3,(H,21,23,26)
InChIKey	MRLXKTOMYQBASL-UHFFFAOYSA-N Google Search
Mol Weight	416.52 g/mol
Molecular Formula	C18H20N6O2S2
Exact Mass	416.108916 g/mol

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SpectraBase Spectrum ID	Hhoz1fI6Xue
Name	2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
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/C18H20N6O2S2/c1-4-13(16(26)21-17-23-22-11(3)27-17)28-18-20-15(25)9-14(19)24(18)12-7-5-6-10(2)8-12/h5-9,13H,4,19H2,1-3H3,(H,21,23,26)
InChIKey	MRLXKTOMYQBASL-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8002
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: 9686979; UBI_ID: UBI-008005
Temperature	308 °C