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

Systemtic Name: 3-(6-aminopurin-9-yl)butoxymethylphosphonic acid Openeye Name: 3-(6-aminopurin-9-yl)butoxymethylphosphonic acid CAS Name: 3-(6-aminopurin-9-yl)butoxymethylphosphonic acid IUPAC Name: 3-(6-aminopurin-9-yl)butoxymethylphosphonic acid Traditional Name: 3-adenin-9-ylbutoxymethylphosphonic acid Formula: C10H16N5O4P MolecularWeight: 301.238901

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(CCOCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C10H16N5O4P/c1-7(2-3-19-6-20(16,17)18)15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13)(H2,16,17,18)