2-[2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(4-hydroxyphenyl)thio]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(4-hydroxyphenyl)sulfanylpurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(4-hydroxyphenyl)thio]purin-9-yl]ethoxymethylphosphonic acid Formula: C14H16N5O5PS MolecularWeight: 397.346101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CC(=CC=C1O)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C14H16N5O5PS/c15-14-17-12-11(13(18-14)26-10-3-1-9(20)2-4-10)16-7-19(12)5-6-24-8-25(21,22)23/h1-4,7,20H,5-6,8H2,(H2,15,17,18)(H2,21,22,23)