(3,4-dimethylphenyl) 5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxylic acid (3,4-dimethylphenyl) ester Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C)C

InChI

InChI=1S/C21H19ClN2O2S/c1-13-8-9-17(10-15(13)3)26-20(25)19-18(22)11-23-21(24-19)27-12-16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3