2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(4-amino-6-chloro-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-amino-6-chloropyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C12H10ClN5O5S MolecularWeight: 371.7563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C12H10ClN5O5S/c13-8-5-9(14)16-11(15-8)17-12(21)18-24(22,23)7-4-2-1-3-6(7)10(19)20/h1-5H,(H,19,20)(H4,14,15,16,17,18,21)