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

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O3S/c1-9(14(22)20-11-5-3-10(7-18)4-6-11)24-15(23)13-12(17)8-19-16(21-13)25-2/h3-6,8-9H,1-2H3,(H,20,22)