1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C13H9BrN4OS MolecularWeight: 349.20576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)Br

InChI

InChI=1S/C13H9BrN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7H,5H2,(H,15,16,17,18)