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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C14H13ClN6O3S2 MolecularWeight: 412.87442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C14H13ClN6O3S2/c15-14-20-12-11(18-7-19-12)13(21-14)25-6-10(22)17-5-8-1-3-9(4-2-8)26(16,23)24/h1-4,7H,5-6H2,(H,17,22)(H2,16,23,24)(H,18,19,20,21)