[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H18ClN3O5S/c1-9(26-16(23)14-13(18)8-19-17(21-14)27-4)15(22)20-10-5-11(24-2)7-12(6-10)25-3/h5-9H,1-4H3,(H,20,22)