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

Systemtic Name: 3-(6-oxidanylidene-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(6-oxo-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(6-keto-3H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4S/c17-27(25,26)12-3-1-11(2-4-12)5-7-18-13(23)6-8-22-10-21-14-15(22)19-9-20-16(14)24/h1-4,9-10H,5-8H2,(H,18,23)(H2,17,25,26)(H,19,20,24)