2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-chlorophenyl)ethanamide Openeye Name: N-(3-chlorophenyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorophenyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide Formula: C13H9Cl2N5OS MolecularWeight: 354.21446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2N5OS/c14-7-2-1-3-8(4-7)18-9(21)5-22-12-10-11(17-6-16-10)19-13(15)20-12/h1-4,6H,5H2,(H,18,21)(H,16,17,19,20)