4-[(5-bromanylthiophen-3-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-bromanylthiophen-3-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-3-thienyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-3-thiophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-bromothiophen-3-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-3-thienyl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H9BrN2O3S2 MolecularWeight: 361.23476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrN2O3S2/c1-5-8(10(15)16)9(14-11(17)13-5)19-4-6-2-7(12)18-3-6/h2-3H,4H2,1H3,(H,15,16)(H,13,14,17)