3-[1-(6-aminopurin-9-yl)propan-2-yloxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[1-(6-aminopurin-9-yl)propan-2-yloxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(6-aminopurin-9-yl)-1-methyl-ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[1-(6-aminopurin-9-yl)propan-2-yloxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[1-(6-aminopurin-9-yl)propan-2-yloxy]pentan-3-ylphosphonic acid Traditional Name: [1-(2-adenin-9-yl-1-methyl-ethoxy)-1-ethyl-propyl]phosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC(C)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC(C)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

InChI

InChI=1S/C13H22N5O4P/c1-4-13(5-2,23(19,20)21)22-9(3)6-18-8-17-10-11(14)15-7-16-12(10)18/h7-9H,4-6H2,1-3H3,(H2,14,15,16)(H2,19,20,21)