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

Systemtic Name: 2-[2-azanyl-6-(3-oxidanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(3-hydroxypropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H19N6O5P MolecularWeight: 346.279521

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCO)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCCO)N

InChI

InChI=1S/C11H19N6O5P/c12-11-15-9(13-2-1-4-18)8-10(16-11)17(6-14-8)3-5-22-7-23(19,20)21/h6,18H,1-5,7H2,(H2,19,20,21)(H3,12,13,15,16)