2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-N-(4-sulfamoylbenzyl)acetamide Formula: C14H15N7O4S MolecularWeight: 377.3784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)N

InChI

InChI=1S/C14H15N7O4S/c15-14-19-12-11(13(23)20-14)18-7-21(12)6-10(22)17-5-8-1-3-9(4-2-8)26(16,24)25/h1-4,7H,5-6H2,(H,17,22)(H2,16,24,25)(H3,15,19,20,23)