4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 1-oxidanyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 1-oxidanyl-3,7-dihydropurine-2,6-dione Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 1-hydroxy-3,7-dihydropurine-2,6-dione CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 1-hydroxy-3,7-dihydropurine-2,6-dione IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; 1-hydroxy-3,7-dihydropurine-2,6-dione Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid; 1-hydroxy-7H-xanthine Formula: C17H15ClN6O8S MolecularWeight: 498.8544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl.C1=NC2=C(N1)C(=O)N(C(=O)N2)O

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl.C1=NC2=C(N1)C(=O)N(C(=O)N2)O

InChI

InChI=1S/C12H11ClN2O5S.C5H4N4O3/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;10-4-2-3(7-1-6-2)8-5(11)9(4)12/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1,12H,(H,6,7)(H,8,11)