[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxyethoxy]methylphosphonic acid IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxyethoxy]methylphosphonic acid Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid Formula: C14H16N5O6P MolecularWeight: 381.280501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C14H16N5O6P/c15-14-17-12-11(13(20)18-14)16-7-19(12)6-10(24-8-26(21,22)23)25-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,21,22,23)(H3,15,17,18,20)