2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(4-sulfamoylbenzyl)acetamide Formula: C16H18N6O5S MolecularWeight: 406.41632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H18N6O5S/c1-20-9-19-14-13(20)15(24)22(16(25)21(14)2)8-12(23)18-7-10-3-5-11(6-4-10)28(17,26)27/h3-6,9H,7-8H2,1-2H3,(H,18,23)(H2,17,26,27)