ethyl 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(3,5-dimethylanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-4-32-24(31)21-15-26-25(33-11-10-19-8-6-5-7-9-19)28(23(21)30)16-22(29)27-20-13-17(2)12-18(3)14-20/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,27,29)