N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3,4-dichlorophenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C13H9Cl2N5OS MolecularWeight: 354.21446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=NC3=C2NC=N3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=NC3=C2NC=N3)Cl)Cl

InChI

InChI=1S/C13H9Cl2N5OS/c14-8-2-1-7(3-9(8)15)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)