N-(4-bromophenyl)-2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide

SpectraBase Compound ID	9LGAp0BR4CF
InChI	InChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKey	JKCLCFAJBBAMKR-UHFFFAOYSA-N Google Search
Mol Weight	382.28 g/mol
Molecular Formula	C15H16BrN3O2S
Exact Mass	381.014661 g/mol

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SpectraBase Spectrum ID	7BBoZd7gG74
Name	N-(4-Bromophenyl)-2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	381.014660939 u
Formula	C15H16BrN3O2S
InChI	InChI=1S/C15H16BrN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKey	JKCLCFAJBBAMKR-UHFFFAOYSA-N
Molecular Weight	382.276 g/mol
SMILES	CCC=1C(NC(=NC1C)SCC(NC=1C=CC(=CC1)Br)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.969706