4-[2,4-Diaminopyrimidin-6-yl]thio-4-(4-carbomethoxyphenyl)-2-butanone

SpectraBase Compound ID	JtFkT9Pptvp
InChI	InChI=1S/C16H18N4O3S/c1-23-15(22)11-5-2-10(3-6-11)4-7-12(21)9-24-14-8-13(17)19-16(18)20-14/h2-3,5-6,8H,4,7,9H2,1H3,(H4,17,18,19,20)
InChIKey	VGPQWXLWYINJTO-UHFFFAOYSA-N Google Search
Mol Weight	346.41 g/mol
Molecular Formula	C16H18N4O3S
Exact Mass	346.109962 g/mol

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SpectraBase Spectrum ID	D4Of7wZunVk
Name	4-[2,4-Diaminopyrimidin-6-yl]thio-4-(4-carbomethoxyphenyl)-2-butanone
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H18N4O3S
InChI	InChI=1S/C16H18N4O3S/c1-23-15(22)11-5-2-10(3-6-11)4-7-12(21)9-24-14-8-13(17)19-16(18)20-14/h2-3,5-6,8H,4,7,9H2,1H3,(H4,17,18,19,20)
InChIKey	VGPQWXLWYINJTO-UHFFFAOYSA-N
Molecular Weight	346.405 g/mol
SMILES	Nc1nc(nc(c1)SCC(=O)CCc1ccc(C(=O)OC)cc1)N
SPLASH	splash10-056r-0902000000-cf71bbc094084e38bf58
Source of Spectrum	H1-43-356-16
Synonyms	1-[2,4-Diaminopyrimidin-6-yl]thio-4-(4-carbomethoxyphenyl)-2-butanone
Wiley ID	757810