1-(6-azanyl-3-oxidanyl-purin-2-yl)oxypropan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(6-azanyl-3-oxidanyl-purin-2-yl)oxypropan-2-yloxymethylphosphonic acid Openeye Name: [2-(6-amino-3-hydroxy-purin-2-yl)oxy-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[(6-amino-3-hydroxy-2-purinyl)oxy]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(6-amino-3-hydroxypurin-2-yl)oxypropan-2-yloxymethylphosphonic acid Traditional Name: [2-(6-amino-3-hydroxy-purin-2-yl)oxy-1-methyl-ethoxy]methylphosphonic acid Formula: C9H14N5O6P MolecularWeight: 319.211121

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=NC(=C2C(=NC=N2)N1O)N)OCP(=O)(O)O

Isomeric SMILES

CC(COC1=NC(=C2C(=NC=N2)N1O)N)OCP(=O)(O)O

InChI

InChI=1S/C9H14N5O6P/c1-5(20-4-21(16,17)18)2-19-9-13-7(10)6-8(14(9)15)12-3-11-6/h3,5,15H,2,4,10H2,1H3,(H2,16,17,18)