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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(2-chloro-7H-purin-6-yl)thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorobenzyl)-2-[(2-chloro-7H-purin-6-yl)thio]acetamide Formula: C14H11Cl2N5OS MolecularWeight: 368.24104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl2N5OS/c15-9-3-1-2-8(4-9)5-17-10(22)6-23-13-11-12(19-7-18-11)20-14(16)21-13/h1-4,7H,5-6H2,(H,17,22)(H,18,19,20,21)