ethyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoylamino]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)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O4S/c1-3-31-23(30)18-9-11-19(12-10-18)26-21(28)14-13-20-16(2)25-24(27-22(20)29)32-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,26,28)(H,25,27,29)