disodium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid

Systemtic Name: disodium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid Openeye Name: disodium [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid CAS Name: disodium [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]oxymethylphosphonic acid IUPAC Name: disodium [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid Traditional Name: disodium [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid Formula: C9H14N3Na2O8P+2 MolecularWeight: 369.176061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)OCP(=O)(O)O)O)O.[Na+].[Na+]

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)OCP(=O)(O)O)O)O.[Na+].[Na+]

InChI

InChI=1S/C9H14N3O8P.2Na/c10-4-1-2-12(9(15)11-4)7-5(13)6(14)8(20-7)19-3-21(16,17)18;;/h1-2,5-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);;/q;2*+1