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1-(6-morpholin-4-yl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
SpectraBase Compound ID I9kIs4FEtz0
InChI InChI=1S/C16H17N3O2S/c1-11(20)13-15(19-7-9-21-10-8-19)17-14(18-16(13)22)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18,22)
InChIKey XTLZLNBKOYKRQK-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvnQMXLBb5J
Name 1-(6-morpholin-4-yl-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
Alternate Name(s) 1-(6-morpholino-2-phenyl-4-thioxo-1H-pyrimidin-5-yl)ethanone 1-[4-(4-morpholinyl)-2-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinyl]ethanone 1-[6-(4-morpholinyl)-2-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-11(20)13-15(19-7-9-21-10-8-19)17-14(18-16(13)22)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18,22)
InChIKey XTLZLNBKOYKRQK-UHFFFAOYSA-N
Molecular Weight 315.391 g/mol
SMILES N1C(=NC(=C(C1=S)C(=O)C)N1CCOCC1)c1ccccc1
SPLASH splash10-0uxr-0009000000-b7cbbac37cd4dc82e5dc
Source of Spectrum F9-1993-1936-4
Wiley ID 1566829