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

Systemtic Name: 2-[2-azanyl-6-(3-azanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(3-aminopropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(3-aminopropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H20N7O4P MolecularWeight: 345.294761

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCN)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCN)N

InChI

InChI=1S/C11H20N7O4P/c12-2-1-3-14-9-8-10(17-11(13)16-9)18(6-15-8)4-5-22-7-23(19,20)21/h6H,1-5,7,12H2,(H2,19,20,21)(H3,13,14,16,17)