2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(4-sulfamoylbenzyl)acetamide Formula: C14H14ClN7O3S MolecularWeight: 395.82406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C14H14ClN7O3S/c15-14-21-12(11-13(22-14)20-7-19-11)18-6-10(23)17-5-8-1-3-9(4-2-8)26(16,24)25/h1-4,7H,5-6H2,(H,17,23)(H2,16,24,25)(H2,18,19,20,21,22)