[2-(6-aminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-1-phenoxyethoxy]methylphosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-1-phenoxyethoxy]methylphosphonic acid Traditional Name: (2-adenin-9-yl-1-phenoxy-ethoxy)methylphosphonic acid Formula: C14H16N5O5P MolecularWeight: 365.281101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C14H16N5O5P/c15-13-12-14(17-7-16-13)19(8-18-12)6-11(23-9-25(20,21)22)24-10-4-2-1-3-5-10/h1-5,7-8,11H,6,9H2,(H2,15,16,17)(H2,20,21,22)