1-phenyl-2-(7H-purin-8-ylsulfanyl)ethanone

Systemtic Name: 1-phenyl-2-(7H-purin-8-ylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(7H-purin-8-ylsulfanyl)ethanone CAS Name: 1-phenyl-2-(7H-purin-8-ylthio)ethanone IUPAC Name: 1-phenyl-2-(7H-purin-8-ylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(7H-purin-8-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=NC3=NC=NC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=NC=NC=C3N2

InChI

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