7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)heptylphosphonic acid

Systemtic Name: 7-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)heptylphosphonic acid Openeye Name: 7-(2-amino-6-oxo-3H-purin-9-yl)heptylphosphonic acid CAS Name: 7-(2-amino-6-oxo-3H-purin-9-yl)heptylphosphonic acid IUPAC Name: 7-(2-amino-6-oxo-3H-purin-9-yl)heptylphosphonic acid Traditional Name: 7-(2-amino-6-keto-3H-purin-9-yl)heptylphosphonic acid Formula: C12H20N5O4P MolecularWeight: 329.292061

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCCCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCCCCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H20N5O4P/c13-12-15-10-9(11(18)16-12)14-8-17(10)6-4-2-1-3-5-7-22(19,20)21/h8H,1-7H2,(H2,19,20,21)(H3,13,15,16,18)