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4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID 2vazuelZwtp
InChI InChI=1S/C20H24N4O3S/c1-4-27-20(26)23-12-10-22(11-13-23)18-17(15(3)25)14(2)24(19(28)21-18)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3
InChIKey PISNNTJHQPYEJO-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C20H24N4O3S
Exact Mass 400.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B196Ay7zYau
Name 4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester
Alternate Name(s) 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-1,2-dihydro-4-pyrimidinyl)-1-piperazinecarboxylate Ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate Ethyl 4-(5-ethanoyl-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate
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Formula C20H24N4O3S
InChI InChI=1S/C20H24N4O3S/c1-4-27-20(26)23-12-10-22(11-13-23)18-17(15(3)25)14(2)24(19(28)21-18)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3
InChIKey PISNNTJHQPYEJO-UHFFFAOYSA-N
Molecular Weight 400.497 g/mol
SMILES C1(=NC(N(C(=C1C(C)=O)C)c1ccccc1)=S)N1CCN(CC1)C(OCC)=O
SPLASH splash10-00di-7691100000-53188f0e689c36967e1d
Wiley ID 1462664