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

Systemtic Name: 2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-[(3-fluorophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-[(3-fluorobenzyl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C19H14BrFN2O2S MolecularWeight: 433.294063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C19H14BrFN2O2S/c1-11-16(19(24)25)18(26-10-12-3-2-4-15(21)9-12)23-17(22-11)13-5-7-14(20)8-6-13/h2-9H,10H2,1H3,(H,24,25)