3-(6-aminopurin-9-yl)propoxymethylphosphonic acid

Systemtic Name: 3-(6-aminopurin-9-yl)propoxymethylphosphonic acid Openeye Name: 3-(6-aminopurin-9-yl)propoxymethylphosphonic acid CAS Name: 3-(6-aminopurin-9-yl)propoxymethylphosphonic acid IUPAC Name: 3-(6-aminopurin-9-yl)propoxymethylphosphonic acid Traditional Name: 3-adenin-9-ylpropoxymethylphosphonic acid Formula: C9H14N5O4P MolecularWeight: 287.212321

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCOCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCOCP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-3-18-6-19(15,16)17/h4-5H,1-3,6H2,(H2,10,11,12)(H2,15,16,17)