ethyl 4-[[4-(2-phenoxyethanoyloxy)phenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-phenoxyethanoyloxy)phenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[4-(2-phenoxyacetyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 4-[4-(1-oxo-2-phenoxyethoxy)anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[4-(2-phenoxyacetyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[4-(2-phenoxyacetyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O5S/c1-2-34-27(33)24-17-29-28(37-19-20-9-5-3-6-10-20)31-26(24)30-21-13-15-23(16-14-21)36-25(32)18-35-22-11-7-4-8-12-22/h3-17H,2,18-19H2,1H3,(H,29,30,31)