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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-isobutylsulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-(isobutylthio)-6-methyl-pyrimidine-5-carboxylate Formula: C16H16BrN2O2S- MolecularWeight: 380.27944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O2S/c1-9(2)8-22-15-13(16(20)21)10(3)18-14(19-15)11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,20,21)/p-1