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

Systemtic Name: 3-[(6-aminopurin-9-yl)-methoxy-methoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)-methoxy-methoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(6-aminopurin-9-yl)-methoxymethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(6-aminopurin-9-yl)-methoxymethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-[adenin-9-yl(methoxy)methoxy]-1-ethyl-propyl]phosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC(N1C=NC2=C1N=CN=C2N)OC)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC(N1C=NC2=C1N=CN=C2N)OC)P(=O)(O)O

InChI

InChI=1S/C12H20N5O5P/c1-4-12(5-2,23(18,19)20)22-11(21-3)17-7-16-8-9(13)14-6-15-10(8)17/h6-7,11H,4-5H2,1-3H3,(H2,13,14,15)(H2,18,19,20)