2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid Openeye Name: 2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid CAS Name: 2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]-8-purinyl]thio]propanoic acid IUPAC Name: 2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid Traditional Name: 2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]thio]propionic acid Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2SC(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2SC(C)C(=O)O

InChI

InChI=1S/C17H19N5O3S/c1-10-5-3-4-6-12(10)25-8-7-22-15-13(14(18)19-9-20-15)21-17(22)26-11(2)16(23)24/h3-6,9,11H,7-8H2,1-2H3,(H,23,24)(H2,18,19,20)