N-[3,5-bis(chloranyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3,5-dichlorophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3,5-dichlorophenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C13H9Cl2N5OS MolecularWeight: 354.21446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Cl)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=C(C=C(C=C1Cl)Cl)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

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