4-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[9-[(4-sulfamoylphenyl)methyl]-6-purinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[9-(4-sulfamoylbenzyl)purin-6-yl]amino]methyl]benzenesulfonamide Formula: C19H19N7O4S2 MolecularWeight: 473.52866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2N=CN3CC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2N=CN3CC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C19H19N7O4S2/c20-31(27,28)15-5-1-13(2-6-15)9-22-18-17-19(24-11-23-18)26(12-25-17)10-14-3-7-16(8-4-14)32(21,29)30/h1-8,11-12H,9-10H2,(H2,20,27,28)(H2,21,29,30)(H,22,23,24)