2-(7H-purin-6-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-(7H-purin-6-ylthio)-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-(7H-purin-6-ylthio)-N-(4-sulfamoylphenyl)propionamide Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H14N6O3S2/c1-8(24-14-11-12(17-6-16-11)18-7-19-14)13(21)20-9-2-4-10(5-3-9)25(15,22)23/h2-8H,1H3,(H,20,21)(H2,15,22,23)(H,16,17,18,19)