ethyl 2-methylsulfanyl-4-[(3-pyridin-4-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(3-pyridin-4-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(pyridine-4-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[oxo(pyridin-4-yl)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(pyridine-4-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 4-(3-isonicotinoyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=NC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=NC=C3)SC

InChI

InChI=1S/C20H18N4O4S/c1-3-27-19(26)16-12-22-20(29-2)24-17(16)23-14-5-4-6-15(11-14)28-18(25)13-7-9-21-10-8-13/h4-12H,3H2,1-2H3,(H,22,23,24)