3-[4-bromanyl-3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-2-yl]propyl 2-fluoranyl-3-oxidanyl-propanoate

Systemtic Name: 3-[4-bromanyl-3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-2-yl]propyl 2-fluoranyl-3-oxidanyl-propanoate Openeye Name: 3-[4-bromo-3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-pyridyl]propyl 2-fluoro-3-hydroxy-propanoate CAS Name: 2-fluoro-3-hydroxypropanoic acid 3-[4-bromo-3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-2-pyridinyl]propyl ester IUPAC Name: 3-[4-bromo-3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridin-2-yl]propyl 2-fluoro-3-hydroxypropanoate Traditional Name: 2-fluoro-3-hydroxy-propionic acid 3-[4-bromo-3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-2-pyridyl]propyl ester Formula: C18H21BrFN5O8S MolecularWeight: 566.355443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CN=C2CCCOC(=O)C(CO)F)Br)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CN=C2CCCOC(=O)C(CO)F)Br)OC

InChI

InChI=1S/C18H21BrFN5O8S/c1-31-13-8-14(32-2)23-17(22-13)24-18(28)25-34(29,30)15-10(19)5-6-21-12(15)4-3-7-33-16(27)11(20)9-26/h5-6,8,11,26H,3-4,7,9H2,1-2H3,(H2,22,23,24,25,28)