[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C17H13BrN2O5S MolecularWeight: 437.26452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C17H13BrN2O5S/c1-9-5-10(2)20-17(19-9)26-8-11-6-12(21)14(7-23-11)25-16(22)13-3-4-15(18)24-13/h3-7H,8H2,1-2H3