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

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

CC(N1C=NC2=C1NC(=NC2=O)N)(OC3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CC(N1C=NC2=C1NC(=NC2=O)N)(OC3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C13H14N5O5P/c1-13(24(20,21)22,23-8-5-3-2-4-6-8)18-7-15-9-10(18)16-12(14)17-11(9)19/h2-7H,1H3,(H2,20,21,22)(H3,14,16,17,19)