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5-Cyano-1-allyl-3-ethyl-6-(4'-methylphenyl)-2-thiouracil
SpectraBase Compound ID Lr26slcbsK1
InChI InChI=1S/C17H17N3OS/c1-4-10-20-15(13-8-6-12(3)7-9-13)14(11-18)16(21)19(5-2)17(20)22/h4,6-9H,1,5,10H2,2-3H3
InChIKey QREIULZSTXZVHX-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IHQH3PGNYj
Name 5-Cyano-1-allyl-3-ethyl-6-(4'-methylphenyl)-2-thiouracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-4-10-20-15(13-8-6-12(3)7-9-13)14(11-18)16(21)19(5-2)17(20)22/h4,6-9H,1,5,10H2,2-3H3
InChIKey QREIULZSTXZVHX-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES C=1(C(N(CC)C(N(C1c1ccc(cc1)C)CC=C)=S)=O)C#N
SPLASH splash10-03di-0119000000-171dabeae095486d945c
Source of Spectrum G-64-1310-3
Synonyms 1-Allyl-3-ethyl-6-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Wiley ID 749441