ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O4S/c1-4-31-23(30)18-10-12-19(13-11-18)26-21(28)14-20-15(2)25-24(27-22(20)29)32-16(3)17-8-6-5-7-9-17/h5-13,16H,4,14H2,1-3H3,(H,26,28)(H,25,27,29)