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

Systemtic Name: 1-[2-azanyl-6-[(2-oxidanyl-1-phenyl-ethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[2-amino-6-[(2-hydroxy-1-phenyl-ethyl)amino]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-[(2-hydroxy-1-phenylethyl)amino]-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[2-amino-6-[(2-hydroxy-1-phenylethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-[(2-hydroxy-1-phenyl-ethyl)amino]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C17H23N6O5P MolecularWeight: 422.375481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N6O5P/c1-11(28-10-29(25,26)27)7-23-9-19-14-15(21-17(18)22-16(14)23)20-13(8-24)12-5-3-2-4-6-12/h2-6,9,11,13,24H,7-8,10H2,1H3,(H2,25,26,27)(H3,18,20,21,22)