1-(6-aminopurin-9-yl)oxybut-3-enylphosphonic acid

Systemtic Name: 1-(6-aminopurin-9-yl)oxybut-3-enylphosphonic acid Openeye Name: 1-(6-aminopurin-9-yl)oxybut-3-enylphosphonic acid CAS Name: 1-(6-aminopurin-9-yl)oxybut-3-enylphosphonic acid IUPAC Name: 1-(6-aminopurin-9-yl)oxybut-3-enylphosphonic acid Traditional Name: 1-adenin-9-yloxybut-3-enylphosphonic acid Formula: C9H12N5O4P MolecularWeight: 285.196441

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(ON1C=NC2=C1N=CN=C2N)P(=O)(O)O

Isomeric SMILES

C=CCC(ON1C=NC2=C1N=CN=C2N)P(=O)(O)O

InChI

InChI=1S/C9H12N5O4P/c1-2-3-6(19(15,16)17)18-14-5-13-7-8(10)11-4-12-9(7)14/h2,4-6H,1,3H2,(H2,10,11,12)(H2,15,16,17)