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

Systemtic Name: 3-(6-aminopurin-9-yl)oxypropylphosphonic acid Openeye Name: 3-(6-aminopurin-9-yl)oxypropylphosphonic acid CAS Name: 3-(6-aminopurin-9-yl)oxypropylphosphonic acid IUPAC Name: 3-(6-aminopurin-9-yl)oxypropylphosphonic acid Traditional Name: 3-adenin-9-yloxypropylphosphonic acid Formula: C8H12N5O4P MolecularWeight: 273.185741

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCCCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCCCP(=O)(O)O

InChI

InChI=1S/C8H12N5O4P/c9-7-6-8(11-4-10-7)13(5-12-6)17-2-1-3-18(14,15)16/h4-5H,1-3H2,(H2,9,10,11)(H2,14,15,16)