6-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]hexylphosphonic acid

Systemtic Name: 6-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]hexylphosphonic acid Openeye Name: 6-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]hexylphosphonic acid CAS Name: 6-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]hexylphosphonic acid IUPAC Name: 6-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]hexylphosphonic acid Traditional Name: 6-[(2-amino-6-keto-3H-purin-9-yl)methoxy]hexylphosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCCCCCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCCCCCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H20N5O5P/c13-12-15-10-9(11(18)16-12)14-7-17(10)8-22-5-3-1-2-4-6-23(19,20)21/h7H,1-6,8H2,(H2,19,20,21)(H3,13,15,16,18)