[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C15H9BrN2O5S MolecularWeight: 409.21136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C15H9BrN2O5S/c16-13-3-2-11(22-13)14(20)23-12-7-21-9(6-10(12)19)8-24-15-17-4-1-5-18-15/h1-7H,8H2