3-[[5-bromanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[5-bromanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid CAS Name: 3-[(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 3-[(5-bromo-2,4-diketo-1H-pyrimidin-3-yl)methyl]-2-thenoic acid Formula: C10H7BrN2O4S MolecularWeight: 331.14258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1CN2C(=O)C(=CNC2=O)Br)C(=O)O

Isomeric SMILES

C1=CSC(=C1CN2C(=O)C(=CNC2=O)Br)C(=O)O

InChI

InChI=1S/C10H7BrN2O4S/c11-6-3-12-10(17)13(8(6)14)4-5-1-2-18-7(5)9(15)16/h1-3H,4H2,(H,12,17)(H,15,16)