ethyl 1-[(4-methylphenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 6-oxo-2-phenethylsulfanyl-1-(p-tolylmethyl)pyrimidine-5-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylphenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-(4-methylbenzyl)-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-3-28-22(27)20-15-24-23(29-14-13-18-7-5-4-6-8-18)25(21(20)26)16-19-11-9-17(2)10-12-19/h4-12,15H,3,13-14,16H2,1-2H3