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5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[(phenylmethyl)thio]methyl]-, ethyl ester
SpectraBase Compound ID ICsZeQEbiaa
InChI InChI=1S/C23H26N2O3S/c1-4-28-22(26)20-19(14-29-13-17-8-6-5-7-9-17)24-23(27)25-21(20)18-12-15(2)10-11-16(18)3/h5-12,21H,4,13-14H2,1-3H3,(H2,24,25,27)
InChIKey SKMIDQQQVAUFQQ-UHFFFAOYSA-N
Mol Weight 410.53 g/mol
Molecular Formula C23H26N2O3S
Exact Mass 410.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2rYf7B765D
Name 5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[(phenylmethyl)thio]methyl]-, ethyl ester
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Formula C23H26N2O3S
InChI InChI=1S/C23H26N2O3S/c1-4-28-22(26)20-19(14-29-13-17-8-6-5-7-9-17)24-23(27)25-21(20)18-12-15(2)10-11-16(18)3/h5-12,21H,4,13-14H2,1-3H3,(H2,24,25,27)
InChIKey SKMIDQQQVAUFQQ-UHFFFAOYSA-N
Molecular Weight 410.532 g/mol
SMILES N1C(NC(=C(C1c1c(ccc(c1)C)C)C(=O)OCC)CSCc1ccccc1)=O
SPLASH splash10-0006-9752000000-ca1a9bb345996ca24026
Source of Spectrum IY-1-4694-0
Synonyms 4-(2,5-dimethylphenyl)-2-oxo-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-(benzylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(2,5-dimethylphenyl)-2-oxidanylidene-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1654923