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

Systemtic Name: ethyl 1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(2,5-dimethylanilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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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)C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-5-25-17(24)13-9-19-18(26-4)21(16(13)23)10-15(22)20-14-8-11(2)6-7-12(14)3/h6-9H,5,10H2,1-4H3,(H,20,22)