ethyl 4-(4-chlorophenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=C(C=C2)Cl)C)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=C(C=C2)Cl)C)SC)C

InChI

InChI=1S/C16H19ClN2O2S/c1-5-21-15(20)13-10(2)18-16(22-4)19(3)14(13)11-6-8-12(17)9-7-11/h6-9,14H,5H2,1-4H3