5-bromanyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 5-bromanyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 5-bromo-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 5-bromo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 5-bromo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 5-bromo-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C5H3BrN2O2S MolecularWeight: 235.05852

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)NC(=C1Br)C(=O)O

Isomeric SMILES

C1=NC(=S)NC(=C1Br)C(=O)O

InChI

InChI=1S/C5H3BrN2O2S/c6-2-1-7-5(11)8-3(2)4(9)10/h1H,(H,9,10)(H,7,8,11)