1-[6-[(2-oxidanyl-1-phenyl-ethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[6-[(2-oxidanyl-1-phenyl-ethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[6-[(2-hydroxy-1-phenyl-ethyl)amino]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[6-[(2-hydroxy-1-phenylethyl)amino]-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[6-[(2-hydroxy-1-phenylethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[6-[(2-hydroxy-1-phenyl-ethyl)amino]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C17H22N5O5P MolecularWeight: 407.360841

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2NC(CO)C3=CC=CC=C3)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=CN=C2NC(CO)C3=CC=CC=C3)OCP(=O)(O)O

InChI

InChI=1S/C17H22N5O5P/c1-12(27-11-28(24,25)26)7-22-10-20-15-16(18-9-19-17(15)22)21-14(8-23)13-5-3-2-4-6-13/h2-6,9-10,12,14,23H,7-8,11H2,1H3,(H,18,19,21)(H2,24,25,26)