N-[(4-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-chlorobenzyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5OS/c15-10-3-1-9(2-4-10)5-16-11(21)6-22-14-12-13(18-7-17-12)19-8-20-14/h1-4,7-8H,5-6H2,(H,16,21)(H,17,18,19,20)