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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C20H16BrN2O2S- MolecularWeight: 428.32224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H17BrN2O2S/c1-13-17(20(24)25)19(26-12-11-14-5-3-2-4-6-14)23-18(22-13)15-7-9-16(21)10-8-15/h2-10H,11-12H2,1H3,(H,24,25)/p-1