1-(4-chlorophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone Openeye Name: 1-(4-chlorophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone CAS Name: 1-(4-chlorophenyl)-2-(7H-purin-8-ylthio)ethanone IUPAC Name: 1-(4-chlorophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone Traditional Name: 1-(4-chlorophenyl)-2-(7H-purin-8-ylthio)ethanone Formula: C13H9ClN4OS MolecularWeight: 304.75476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=NC=NC=C3N2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=NC=NC=C3N2)Cl

InChI

InChI=1S/C13H9ClN4OS/c14-9-3-1-8(2-4-9)11(19)6-20-13-17-10-5-15-7-16-12(10)18-13/h1-5,7H,6H2,(H,15,16,17,18)