ethyl 4-[[3-(5-bromanylfuran-2-yl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(5-bromanylfuran-2-yl)carbonyloxyphenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(5-bromofuran-2-carbonyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[(5-bromo-2-furanyl)-oxomethoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(5-bromofuran-2-carbonyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[3-(5-bromo-2-furoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H20BrN3O5S MolecularWeight: 554.4124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br)SCC4=CC=CC=C4

InChI

InChI=1S/C25H20BrN3O5S/c1-2-32-23(30)19-14-27-25(35-15-16-7-4-3-5-8-16)29-22(19)28-17-9-6-10-18(13-17)33-24(31)20-11-12-21(26)34-20/h3-14H,2,15H2,1H3,(H,27,28,29)