2-(4-fluorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: 2-(4-fluorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-(4-fluorophenyl)-4-methyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-(4-fluorophenyl)-4-methyl-6-[(4-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-(4-fluorophenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-methyl-6-[(4-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C20H16FN2O2S- MolecularWeight: 367.416643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O2S/c1-12-3-5-14(6-4-12)11-26-19-17(20(24)25)13(2)22-18(23-19)15-7-9-16(21)10-8-15/h3-10H,11H2,1-2H3,(H,24,25)/p-1