N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-iodophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-iodophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-iodophenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C13H10IN5OS MolecularWeight: 411.22087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10IN5OS/c14-8-1-3-9(4-2-8)19-10(20)5-21-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7H,5H2,(H,19,20)(H,15,16,17,18)