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

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C16H19N7O4S MolecularWeight: 405.43156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)N

InChI

InChI=1S/C16H19N7O4S/c17-16-21-14-13(15(25)22-16)20-9-23(14)8-6-12(24)19-7-5-10-1-3-11(4-2-10)28(18,26)27/h1-4,9H,5-8H2,(H,19,24)(H2,18,26,27)(H3,17,21,22,25)