disodium [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphonic acid

Systemtic Name: disodium [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphonic acid Openeye Name: disodium [5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxyphosphonic acid CAS Name: disodium [5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-oxolanyl]oxyphosphonic acid IUPAC Name: disodium [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphonic acid Traditional Name: disodium [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxyphosphonic acid Formula: C10H16N2Na2O11P2+2 MolecularWeight: 448.167902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](O)(O)[O-])O[P+](O)(O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](O)(O)[O-])O[P+](O)(O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H16N2O11P2.2Na/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17;;/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20);;/q;2*+1