4-[(5-bromanylfuran-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-bromanylfuran-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-2-furyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-2-furanyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-bromofuran-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-2-furyl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H9BrN2O4S MolecularWeight: 345.16916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrN2O4S/c1-5-8(10(15)16)9(14-11(17)13-5)19-4-6-2-3-7(12)18-6/h2-3H,4H2,1H3,(H,15,16)(H,13,14,17)