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

Systemtic Name: disodium [(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-methoxy-methoxy]methylphosphonic acid Openeye Name: disodium [(2-amino-6-oxo-3H-purin-9-yl)-methoxy-methoxy]methylphosphonic acid CAS Name: disodium [(2-amino-6-oxo-3H-purin-9-yl)-methoxymethoxy]methylphosphonic acid IUPAC Name: disodium [(2-amino-6-oxo-3H-purin-9-yl)-methoxymethoxy]methylphosphonic acid Traditional Name: disodium [(2-amino-6-keto-3H-purin-9-yl)-methoxy-methoxy]methylphosphonic acid Formula: C8H12N5Na2O6P+2 MolecularWeight: 351.164081

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Descriptors Computed from Structure

Canonical SMILES:

COC(N1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O.[Na+].[Na+]

Isomeric SMILES

COC(N1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O.[Na+].[Na+]

InChI

InChI=1S/C8H12N5O6P.2Na/c1-18-8(19-3-20(15,16)17)13-2-10-4-5(13)11-7(9)12-6(4)14;;/h2,8H,3H2,1H3,(H2,15,16,17)(H3,9,11,12,14);;/q;2*+1