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

Systemtic Name: 2-[6-(2-azanylethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(2-aminoethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(2-aminoethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(2-aminoethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(2-aminoethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C10H17N6O4P MolecularWeight: 316.253541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N6O4P/c11-1-2-12-9-8-10(14-5-13-9)16(6-15-8)3-4-20-7-21(17,18)19/h5-6H,1-4,7,11H2,(H,12,13,14)(H2,17,18,19)