2-[6-(4-azanylbutylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(4-azanylbutylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(4-aminobutylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(4-aminobutylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(4-aminobutylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(4-aminobutylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N6O4P/c13-3-1-2-4-14-11-10-12(16-7-15-11)18(8-17-10)5-6-22-9-23(19,20)21/h7-8H,1-6,9,13H2,(H,14,15,16)(H2,19,20,21)