methyl 2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-amino-6-chloro-pyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4-amino-6-chloro-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-6-chloropyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C13H12ClN5O5S MolecularWeight: 385.78288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C13H12ClN5O5S/c1-24-11(20)7-4-2-3-5-8(7)25(22,23)19-13(21)18-12-16-9(14)6-10(15)17-12/h2-6H,1H3,(H4,15,16,17,18,19,21)