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N-((4-amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-2-chloro-N-cyclohexyl-2-phenylacetamide
SpectraBase Compound ID 8PE7qUYL1mp
InChI InChI=1S/C21H27ClN4O2S/c1-25-19(27)16(18(23)24-21(25)29-2)13-26(15-11-7-4-8-12-15)20(28)17(22)14-9-5-3-6-10-14/h3,5-6,9-10,15,17H,4,7-8,11-13,23H2,1-2H3
InChIKey VVGYHKMWNWSALZ-UHFFFAOYSA-N
Mol Weight 434.99 g/mol
Molecular Formula C21H27ClN4O2S
Exact Mass 434.154325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4MRyesuG3F
Name N-((4-amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-2-chloro-N-cyclohexyl-2-phenylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN4O2S
InChI InChI=1S/C21H27ClN4O2S/c1-25-19(27)16(18(23)24-21(25)29-2)13-26(15-11-7-4-8-12-15)20(28)17(22)14-9-5-3-6-10-14/h3,5-6,9-10,15,17H,4,7-8,11-13,23H2,1-2H3
InChIKey VVGYHKMWNWSALZ-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 434.986 g/mol
SMILES NC=1N=C(N(C(C1CN(C(C(Cl)c1ccccc1)=O)C1CCCCC1)=O)C)SC
SPLASH splash10-001i-1390000000-c94f3f1f7a89fde44713
Source of Spectrum AJC-12-SM112-5y
Wiley ID 1857392