(5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2S/c1-14(2)18-9-8-16(4)11-20(18)28-22(27)21-19(24)12-25-23(26-21)29-13-17-7-5-6-15(3)10-17/h5-12,14H,13H2,1-4H3