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5-Acetyl-6-(phenylamino)-2-phenyl-3H-pyrimidine-4-thione
SpectraBase Compound ID 2x2w3GOnvAk
InChI InChI=1S/C18H15N3OS/c1-12(22)15-17(19-14-10-6-3-7-11-14)20-16(21-18(15)23)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21,23)
InChIKey HMWLZUVIXRZRPM-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C18H15N3OS
Exact Mass 321.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zOpklCR6a
Name 5-Acetyl-6-(phenylamino)-2-phenyl-3H-pyrimidine-4-thione
Alternate Name(s) 1-(4-anilino-2-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinyl)ethanone 2-Phenyl-5-acetyl-4-(phenylamino)-6-thioxopyrimidine 2-Phenyl-5-acetyl-6-(phenylamino)-4-thioxopyrimidine-4-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3OS
InChI InChI=1S/C18H15N3OS/c1-12(22)15-17(19-14-10-6-3-7-11-14)20-16(21-18(15)23)13-8-4-2-5-9-13/h2-11H,1H3,(H2,19,20,21,23)
InChIKey HMWLZUVIXRZRPM-UHFFFAOYSA-N
Molecular Weight 321.398 g/mol
SMILES N1C(=NC(=C(C1=S)C(=O)C)Nc1ccccc1)c1ccccc1
SPLASH splash10-00di-0019000000-585688aad26674923443
Source of Spectrum F9-1993-1936-4
Wiley ID 1566832