1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-phenyl-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(7H-purin-6-ylthio)ethanone Formula: C13H10N4OS MolecularWeight: 270.3097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4OS/c18-10(9-4-2-1-3-5-9)6-19-13-11-12(15-7-14-11)16-8-17-13/h1-5,7-8H,6H2,(H,14,15,16,17)