sodium 1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-methoxy-methoxy]ethylphosphonic acid

Systemtic Name: sodium 1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-methoxy-methoxy]ethylphosphonic acid Openeye Name: sodium 1-[(2-amino-6-oxo-3H-purin-9-yl)-methoxy-methoxy]ethylphosphonic acid CAS Name: sodium 1-[(2-amino-6-oxo-3H-purin-9-yl)-methoxymethoxy]ethylphosphonic acid IUPAC Name: sodium 1-[(2-amino-6-oxo-3H-purin-9-yl)-methoxymethoxy]ethylphosphonic acid Traditional Name: sodium 1-[(2-amino-6-keto-3H-purin-9-yl)-methoxy-methoxy]ethylphosphonic acid Formula: C9H14N5NaO6P+ MolecularWeight: 342.200891

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(N1C=NC2=C1NC(=NC2=O)N)OC)P(=O)(O)O.[Na+]

Isomeric SMILES

CC(OC(N1C=NC2=C1NC(=NC2=O)N)OC)P(=O)(O)O.[Na+]

InChI

InChI=1S/C9H14N5O6P.Na/c1-4(21(16,17)18)20-9(19-2)14-3-11-5-6(14)12-8(10)13-7(5)15;/h3-4,9H,1-2H3,(H2,16,17,18)(H3,10,12,13,15);/q;+1