disodium [6-azanyl-3-[3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-4H-pyrimidin-1-yl]oxymethylphosphonic acid

Systemtic Name: disodium [6-azanyl-3-[3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-4H-pyrimidin-1-yl]oxymethylphosphonic acid Openeye Name: disodium [6-amino-3-(3,4-dihydroxytetrahydrofuran-2-yl)-2-oxo-4H-pyrimidin-1-yl]oxymethylphosphonic acid CAS Name: disodium [6-amino-3-(3,4-dihydroxy-2-oxolanyl)-2-oxo-4H-pyrimidin-1-yl]oxymethylphosphonic acid IUPAC Name: disodium [6-amino-3-(3,4-dihydroxyoxolan-2-yl)-2-oxo-4H-pyrimidin-1-yl]oxymethylphosphonic acid Traditional Name: disodium [6-amino-3-(3,4-dihydroxytetrahydrofuran-2-yl)-2-keto-4H-pyrimidin-1-yl]oxymethylphosphonic acid Formula: C9H16N3Na2O8P+2 MolecularWeight: 371.191941

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N(C(=O)N1C2C(C(CO2)O)O)OCP(=O)(O)O)N.[Na+].[Na+]

Isomeric SMILES

C1C=C(N(C(=O)N1C2C(C(CO2)O)O)OCP(=O)(O)O)N.[Na+].[Na+]

InChI

InChI=1S/C9H16N3O8P.2Na/c10-6-1-2-11(8-7(14)5(13)3-19-8)9(15)12(6)20-4-21(16,17)18;;/h1,5,7-8,13-14H,2-4,10H2,(H2,16,17,18);;/q;2*+1