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5-Cyano-3-ethyl-6-(4'-methylphenyl)-1-phenyl-2-thiouracil
SpectraBase Compound ID 8LJYUns9oSj
InChI InChI=1S/C20H17N3OS/c1-3-22-19(24)17(13-21)18(15-11-9-14(2)10-12-15)23(20(22)25)16-7-5-4-6-8-16/h4-12H,3H2,1-2H3
InChIKey XXXMPHDMOILJCA-UHFFFAOYSA-N
Mol Weight 347.44 g/mol
Molecular Formula C20H17N3OS
Exact Mass 347.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJvEU0XL88d
Name 5-Cyano-3-ethyl-6-(4'-methylphenyl)-1-phenyl-2-thiouracil
Alternate Name(s) 3-Ethyl-6-(4-methylphenyl)-4-oxo-1-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3OS
InChI InChI=1S/C20H17N3OS/c1-3-22-19(24)17(13-21)18(15-11-9-14(2)10-12-15)23(20(22)25)16-7-5-4-6-8-16/h4-12H,3H2,1-2H3
InChIKey XXXMPHDMOILJCA-UHFFFAOYSA-N
Molecular Weight 347.436 g/mol
SMILES C1(N(C(=O)C(=C(N1c1ccccc1)c1ccc(cc1)C)C#N)CC)=S
SPLASH splash10-002b-3329000000-2023c1f049eca2e95abb
Source of Spectrum G-64-1310-3
Wiley ID 749443