tributylstannyl 5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: tributylstannyl 5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: tributylstannyl 5-bromo-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-methylsulfonyl-4-pyrimidinecarboxylic acid tributylstannyl ester IUPAC Name: tributylstannyl 5-bromo-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-mesyl-pyrimidine-4-carboxylic acid tributylstannyl ester Formula: C18H31BrN2O4SSn MolecularWeight: 570.12874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)OC(=O)C1=NC(=NC=C1Br)S(=O)(=O)C

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)C1=NC(=NC=C1Br)S(=O)(=O)C

InChI

InChI=1S/C6H5BrN2O4S.3C4H9.Sn/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11;3*1-3-4-2;/h2H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1