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5-Benzoyl-6-[piperidino]-2-phenyl-3H-pyrimidine-4-thione
SpectraBase Compound ID B7Du8dCJlm0
InChI InChI=1S/C23H17N3OS/c27-20(16-10-4-1-5-11-16)19-22(24-18-14-8-3-9-15-18)25-21(26-23(19)28)17-12-6-2-7-13-17/h1-15H,(H2,24,25,26,28)
InChIKey XKEYVBUZSMODIA-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C23H17N3OS
Exact Mass 383.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63zIG7g5Sht
Name 5-Benzoyl-6-[piperidino]-2-phenyl-3H-pyrimidine-4-thione
Alternate Name(s) 2-Phenyl-5-benzoyl-6-[phenylamino]-4-thioxopyrimidine-4-thione 5-Benzoyl-6-[phenylamino]-2-phenyl-3H-pyrimidine-4-thione (6-anilino-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethanone phenyl-(2-phenyl-6-phenylazanyl-4-sulfanylidene-1H-pyrimidin-5-yl)methanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3OS
InChI InChI=1S/C23H17N3OS/c27-20(16-10-4-1-5-11-16)19-22(24-18-14-8-3-9-15-18)25-21(26-23(19)28)17-12-6-2-7-13-17/h1-15H,(H2,24,25,26,28)
InChIKey XKEYVBUZSMODIA-UHFFFAOYSA-N
Molecular Weight 383.469 g/mol
SMILES N1C(=NC(=C(C1=S)C(=O)c1ccccc1)Nc1ccccc1)c1ccccc1
SPLASH splash10-0f89-0009000000-74553d96c1e9b2ff183b
Source of Spectrum F9-1993-1936-4
Wiley ID 1566828