8-[2-(4-chloranylphenoxy)ethylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[2-(4-chloranylphenoxy)ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(4-chlorophenoxy)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-(4-chlorophenoxy)ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(4-chlorophenoxy)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(4-chlorophenoxy)ethylthio]-7H-purin-6-yl]amine Formula: C13H12ClN5OS MolecularWeight: 321.78528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCSC2=NC3=C(N2)C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCSC2=NC3=C(N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C13H12ClN5OS/c14-8-1-3-9(4-2-8)20-5-6-21-13-18-10-11(15)16-7-17-12(10)19-13/h1-4,7H,5-6H2,(H3,15,16,17,18,19)