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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C20H16BrN2O2S- MolecularWeight: 428.32224

Click to see the large picture

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)/p-1