4-[(3-bromophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-bromophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-bromophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-bromophenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-bromophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-bromobenzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O2S/c1-8-12(14(18)19)13(17-9(2)16-8)20-7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19)