2-(4-bromophenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-benzylsulfanyl-2-(4-bromophenyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-benzylsulfanyl-2-(4-bromophenyl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-(4-bromophenyl)-6-methyl-pyrimidine-5-carboxylate Formula: C19H14BrN2O2S- MolecularWeight: 414.29566

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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)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H15BrN2O2S/c1-12-16(19(23)24)18(25-11-13-5-3-2-4-6-13)22-17(21-12)14-7-9-15(20)10-8-14/h2-10H,11H2,1H3,(H,23,24)/p-1