oxetan-3-yl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylate

Systemtic Name: oxetan-3-yl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylate Openeye Name: oxetan-3-yl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-3-pyridinecarboxylic acid 3-oxetanyl ester IUPAC Name: oxetan-3-yl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]nicotinic acid oxetan-3-yl ester Formula: C16H17N5O8S MolecularWeight: 439.39988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(=O)OC3COC3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(=O)OC3COC3)OC

InChI

InChI=1S/C16H17N5O8S/c1-26-11-6-12(27-2)19-15(18-11)20-16(23)21-30(24,25)13-10(4-3-5-17-13)14(22)29-9-7-28-8-9/h3-6,9H,7-8H2,1-2H3,(H2,18,19,20,21,23)