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2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(4-chlorophenyl)propionamide
SpectraBase Compound ID Ii5uPcXKKcW
InChI InChI=1S/C21H21ClN4O2S/c1-14(20(28)24-17-9-7-16(22)8-10-17)29-21-25-19(27)13-18(23)26(21)12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12,23H2,1H3,(H,24,28)
InChIKey LIZKXMHIBZECLW-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C21H21ClN4O2S
Exact Mass 428.107375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfMho9l2QfN
Name 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(4-chlorophenyl)propionamide
Alternate Name(s) 2-[[6-amino-4-oxo-1-(2-phenylethyl)-2-pyrimidinyl]thio]-N-(4-chlorophenyl)propanamide 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN4O2S
InChI InChI=1S/C21H21ClN4O2S/c1-14(20(28)24-17-9-7-16(22)8-10-17)29-21-25-19(27)13-18(23)26(21)12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12,23H2,1H3,(H,24,28)
InChIKey LIZKXMHIBZECLW-UHFFFAOYSA-N
Molecular Weight 428.938 g/mol
SMILES N(c1ccc(cc1)Cl)C(C(SC=1N(C(N)=CC(N1)=O)CCc1ccccc1)C)=O
SPLASH splash10-004l-6920000000-a4e5e00b7a0668b05a48
Wiley ID 1445698