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

Systemtic Name: N-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5OS/c19-10(18-9-4-2-1-3-5-9)6-20-13-11-12(15-7-14-11)16-8-17-13/h1-5,7-8H,6H2,(H,18,19)(H,14,15,16,17)