2-(2-azanyl-6-chloranyl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-chloranyl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-chloro-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-6-chloro-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-chloropurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-chloro-purin-9-yl)ethoxymethylphosphonic acid Formula: C8H11ClN5O4P MolecularWeight: 307.630801

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2Cl)N

InChI

InChI=1S/C8H11ClN5O4P/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,(H2,10,12,13)(H2,15,16,17)