2-(4-bromophenyl)-4-butylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-4-butylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-butylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-(butylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-butylsulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-(butylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O2S/c1-3-4-9-22-15-13(16(20)21)10(2)18-14(19-15)11-5-7-12(17)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,20,21)