2-[2,6-bis(azanyl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2,6-bis(azanyl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2,6-diaminopurin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2,6-diamino-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2,6-diaminopurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,6-diaminopurin-9-yl)ethoxymethylphosphonic acid Formula: C8H13N6O4P MolecularWeight: 288.200381

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)