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N-Benzyl-2-chloro-N-{[4-(2-chloroacetamido)-(2-methylthio)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}acetamide
SpectraBase Compound ID Bny75Gy16Jx
InChI InChI=1S/C18H20Cl2N4O3S/c1-23-17(27)13(16(21-14(25)8-19)22-18(23)28-2)11-24(15(26)9-20)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,21,25)
InChIKey BCKOXNPWQIOJJL-UHFFFAOYSA-N
Mol Weight 443.35 g/mol
Molecular Formula C18H20Cl2N4O3S
Exact Mass 442.063317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8wkyHueSCi
Name N-Benzyl-2-chloro-N-{[4-(2-chloroacetamido)-(2-methylthio)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}acetamide
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Formula C18H20Cl2N4O3S
InChI InChI=1S/C18H20Cl2N4O3S/c1-23-17(27)13(16(21-14(25)8-19)22-18(23)28-2)11-24(15(26)9-20)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,21,25)
InChIKey BCKOXNPWQIOJJL-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 443.349 g/mol
Reported Formula C18H20N4O3SCl2
SMILES N(C=1N=C(N(C(C1CN(C(CCl)=O)Cc1ccccc1)=O)C)SC)C(CCl)=O
SPLASH splash10-0006-9221000000-bf4448f3d1f9c354677d
Source of Spectrum AJC-12-SM113-6b
Wiley ID 1857394