methyl 2-[[6-(dimethylamino)-2-fluoranyl-pyrimidin-4-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[6-(dimethylamino)-2-fluoranyl-pyrimidin-4-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[6-(dimethylamino)-2-fluoro-pyrimidin-4-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[6-(dimethylamino)-2-fluoro-4-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(dimethylamino)-2-fluoropyrimidin-4-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[6-(dimethylamino)-2-fluoro-pyrimidin-4-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C15H16FN5O5S MolecularWeight: 397.381443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)F

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)F

InChI

InChI=1S/C15H16FN5O5S/c1-21(2)12-8-11(17-14(16)19-12)18-15(23)20-27(24,25)10-7-5-4-6-9(10)13(22)26-3/h4-8H,1-3H3,(H2,17,18,19,20,23)