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

Systemtic Name: ethyl 2-(phenylmethylsulfanyl)-4-[(3-pyridin-3-ylcarbonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(pyridine-3-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[oxo(3-pyridinyl)methoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(pyridine-3-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-(3-nicotinoyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CN=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CN=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4S/c1-2-33-25(32)22-16-28-26(35-17-18-8-4-3-5-9-18)30-23(22)29-20-11-6-12-21(14-20)34-24(31)19-10-7-13-27-15-19/h3-16H,2,17H2,1H3,(H,28,29,30)