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

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H18N4O4S/c1-13-19(21(31-2)26-20(24-13)17-9-5-11-29-17)22(28)30-12-18(27)25-16-8-3-7-15-14(16)6-4-10-23-15/h3-11H,12H2,1-2H3,(H,25,27)