4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid

Systemtic Name: 4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid Openeye Name: 4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid CAS Name: 4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid IUPAC Name: 4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid Traditional Name: 4-methyl-3-(7H-purin-6-ylsulfamoyl)benzoic acid Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H11N5O4S/c1-7-2-3-8(13(19)20)4-9(7)23(21,22)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H,19,20)(H2,14,15,16,17,18)