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

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-phenoxy-ethyl]phosphonic acid Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxy-ethyl]phosphonic acid CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxyethyl]phosphonic acid IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-1-phenoxyethyl]phosphonic acid Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)-1-phenoxy-ethyl]phosphonic acid Formula: C13H14N5O5P MolecularWeight: 351.254521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N5O5P/c14-13-16-11-10(12(19)17-13)15-7-18(11)6-9(24(20,21)22)23-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H2,20,21,22)(H3,14,16,17,19)