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

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

CCC(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)N)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCC(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)N)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C16H18N6O4S/c1-2-13(23)21(22-10-20-14-15(22)18-9-19-16(14)24)8-7-11-3-5-12(6-4-11)27(17,25)26/h3-6,9-10H,2,7-8H2,1H3,(H2,17,25,26)(H,18,19,24)