5-bromanyl-4-methoxycarbonyl-pyrimidine-2-thiolate

Systemtic Name: 5-bromanyl-4-methoxycarbonyl-pyrimidine-2-thiolate Openeye Name: 5-bromo-4-methoxycarbonyl-pyrimidine-2-thiolate CAS Name: 5-bromo-4-methoxycarbonyl-2-pyrimidinethiolate IUPAC Name: 5-bromo-4-methoxycarbonylpyrimidine-2-thiolate Traditional Name: 5-bromo-4-carbomethoxy-pyrimidine-2-thiolate Formula: C6H4BrN2O2S- MolecularWeight: 248.07716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NC=C1Br)[S-]

Isomeric SMILES

COC(=O)C1=NC(=NC=C1Br)[S-]

InChI

InChI=1S/C6H5BrN2O2S/c1-11-5(10)4-3(7)2-8-6(12)9-4/h2H,1H3,(H,8,9,12)/p-1