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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)F

Isomeric SMILES

CCNC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)F

InChI

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