1-phenyl-2-(5H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-phenyl-2-(5H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(5H-purin-6-ylsulfanyl)ethanone CAS Name: 1-phenyl-2-(5H-purin-6-ylthio)ethanone IUPAC Name: 1-phenyl-2-(5H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(5H-purin-6-ylthio)ethanone Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=NC=NC32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=NC=NC32

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/h1-5,7-8,11H,6H2