N-(4-bromanyl-2-chloranyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C13H9BrClN5OS MolecularWeight: 398.66546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H9BrClN5OS/c14-7-1-2-9(8(15)3-7)20-10(21)4-22-13-11-12(17-5-16-11)18-6-19-13/h1-3,5-6H,4H2,(H,20,21)(H,16,17,18,19)