N-(2,1,3-benzothiadiazol-4-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-piazthiol-4-yl-2-(7H-purin-6-ylthio)acetamide Formula: C13H9N7OS2 MolecularWeight: 343.38686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C13H9N7OS2/c21-9(18-7-2-1-3-8-10(7)20-23-19-8)4-22-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4H2,(H,18,21)(H,14,15,16,17)