ethyl 4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2-ethoxy-2-oxo-ethyl)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(2-ethoxy-2-oxoethyl)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-ethoxy-2-oxoethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(2-ethoxy-2-keto-ethyl)anilino]-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)CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

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