5-[[6-oxidanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-pyridin-1-ium-2-yl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate

Systemtic Name: 5-[[6-oxidanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-pyridin-1-ium-2-yl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-pyridin-1-ium-2-yl-methyl]-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(2-pyridin-1-iumyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-pyridin-1-ium-2-ylmethyl]-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 5-[(6-hydroxy-2,4-diketo-1H-pyrimidin-5-yl)-pyridin-1-ium-2-yl-methyl]-2,4-diketo-1H-pyrimidin-6-olate Formula: C14H11N5O6 MolecularWeight: 345.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C(C2=C(NC(=O)NC2=O)O)C3=C(NC(=O)NC3=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)C(C2=C(NC(=O)NC2=O)O)C3=C(NC(=O)NC3=O)[O-]

InChI

InChI=1S/C14H11N5O6/c20-9-7(10(21)17-13(24)16-9)6(5-3-1-2-4-15-5)8-11(22)18-14(25)19-12(8)23/h1-4,6H,(H3,16,17,20,21,24)(H3,18,19,22,23,25)