[2-[2,6-bis(azanyl)purin-9-yl]-1-phenoxy-ethoxy]methylphosphonic acid

Systemtic Name: [2-[2,6-bis(azanyl)purin-9-yl]-1-phenoxy-ethoxy]methylphosphonic acid Openeye Name: [2-(2,6-diaminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid CAS Name: [2-(2,6-diamino-9-purinyl)-1-phenoxyethoxy]methylphosphonic acid IUPAC Name: [2-(2,6-diaminopurin-9-yl)-1-phenoxyethoxy]methylphosphonic acid Traditional Name: [2-(2,6-diaminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid Formula: C14H17N6O5P MolecularWeight: 380.295741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N6O5P/c15-12-11-13(19-14(16)18-12)20(7-17-11)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)(H4,15,16,18,19)