6-azanyl-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione

Systemtic Name: 6-azanyl-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione Openeye Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione CAS Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione IUPAC Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione Traditional Name: 6-amino-9-[2-(2-methylphenoxy)ethyl]-7H-purin-3-ium-8-thione Formula: C14H16N5OS+ MolecularWeight: 302.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=[NH+]C=NC(=C3NC2=S)N

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=[NH+]C=NC(=C3NC2=S)N

InChI

InChI=1S/C14H15N5OS/c1-9-4-2-3-5-10(9)20-7-6-19-13-11(18-14(19)21)12(15)16-8-17-13/h2-5,8H,6-7H2,1H3,(H,18,21)(H2,15,16,17)/p+1