2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylic acid Formula: C20H17BrN2O2S MolecularWeight: 429.33018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)O)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)O)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O2S/c1-12-4-3-5-14(10-12)11-26-19-17(20(24)25)13(2)22-18(23-19)15-6-8-16(21)9-7-15/h3-10H,11H2,1-2H3,(H,24,25)