3-[2-(6-aminopurin-9-yl)ethoxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(6-aminopurin-9-yl)ethoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(6-aminopurin-9-yl)ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-(6-aminopurin-9-yl)ethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(6-aminopurin-9-yl)ethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-(2-adenin-9-ylethoxy)-1-ethyl-propyl]phosphonic acid Formula: C12H20N5O4P MolecularWeight: 329.292061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OCCN1C=NC2=C1N=CN=C2N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OCCN1C=NC2=C1N=CN=C2N)P(=O)(O)O

InChI

InChI=1S/C12H20N5O4P/c1-3-12(4-2,22(18,19)20)21-6-5-17-8-16-9-10(13)14-7-15-11(9)17/h7-8H,3-6H2,1-2H3,(H2,13,14,15)(H2,18,19,20)