4-[(5-bromanylfuran-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-bromanylfuran-2-yl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-2-furyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-2-furanyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-bromofuran-2-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-2-furyl)methylthio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C12H11BrN2O3S/c1-6-10(12(16)17)11(15-7(2)14-6)19-5-8-3-4-9(13)18-8/h3-4H,5H2,1-2H3,(H,16,17)