ethyl 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=CC(=C2)OC)OC)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=CC(=C2)OC)OC)SCCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-4-34-24(31)19-15-26-25(35-13-12-17-8-6-5-7-9-17)28(23(19)30)16-22(29)27-20-14-18(32-2)10-11-21(20)33-3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,27,29)