[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O5S/c1-16-22(25(35-2)29-23(27-16)21-9-6-14-33-21)26(32)34-15-20(30)17-10-12-19(13-11-17)28-24(31)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,28,31)