3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C16H17ClN6O3S2 MolecularWeight: 440.92758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H17ClN6O3S2/c17-16-22-14-13(20-9-21-14)15(23-16)27-8-6-12(24)19-7-5-10-1-3-11(4-2-10)28(18,25)26/h1-4,9H,5-8H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23)