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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3-fluorophenyl)acetamide Formula: C13H9ClFN5OS MolecularWeight: 337.759863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClFN5OS/c14-13-19-11-10(16-6-17-11)12(20-13)22-5-9(21)18-8-3-1-2-7(15)4-8/h1-4,6H,5H2,(H,18,21)(H,16,17,19,20)