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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(4-sulfamoylphenyl)methyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(4-sulfamoylbenzyl)propionamide Formula: C15H15ClN6O3S2 MolecularWeight: 426.901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C15H15ClN6O3S2/c16-15-21-13-12(19-8-20-13)14(22-15)26-6-5-11(23)18-7-9-1-3-10(4-2-9)27(17,24)25/h1-4,8H,5-7H2,(H,18,23)(H2,17,24,25)(H,19,20,21,22)