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

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-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-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-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-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-13-18(20(30-2)25-19(24-13)16-4-3-11-28-16)21(27)29-12-17(26)23-10-9-14-5-7-15(22)8-6-14/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)