5-diazonio-2-oxidanylidene-3-[4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-1,4-dihydropyrimidin-6-olate

Systemtic Name: 5-diazonio-2-oxidanylidene-3-[4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-1,4-dihydropyrimidin-6-olate Openeye Name: 5-diazonio-3-[4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-oxo-1,4-dihydropyrimidin-6-olate CAS Name: 5-diazonio-3-[4-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-2-oxo-1,4-dihydropyrimidin-6-olate IUPAC Name: 5-diazonio-3-[4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-1,4-dihydropyrimidin-6-olate Traditional Name: 5-diazonio-3-[4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2-keto-1,4-dihydropyrimidin-6-olate Formula: C9H13N4O8P MolecularWeight: 336.195281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2CC(=C(NC2=O)[O-])[N+]#N)COP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2CC(=C(NC2=O)[O-])[N+]#N)COP(=O)(O)O)O

InChI

InChI=1S/C9H13N4O8P/c10-12-4-2-13(9(16)11-8(4)15)7-1-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,1-3H2,(H3-,11,15,16,17,18,19)