2-[6-(3-azanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(3-azanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(3-aminopropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H19N6O4P MolecularWeight: 330.280121

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCCN)N=CN2CCOCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCCCN)N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C11H19N6O4P/c12-2-1-3-13-10-9-11(15-6-14-10)17(7-16-9)4-5-21-8-22(18,19)20/h6-7H,1-5,8,12H2,(H,13,14,15)(H2,18,19,20)