(4-methoxyphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 5-chloro-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-13-3-5-14(6-4-13)12-27-20-22-11-17(21)18(23-20)19(24)26-16-9-7-15(25-2)8-10-16/h3-11H,12H2,1-2H3