diazanium [[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] hydrogen phosphate

Systemtic Name: diazanium [[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] hydrogen phosphate Openeye Name: diammonium [[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] hydrogen phosphate CAS Name: diammonium [[(2S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxidophosphoryl] hydrogen phosphate IUPAC Name: diazanium [[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate Traditional Name: diammonium [[(2S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] hydrogen phosphate Formula: C9H21N5O9P2 MolecularWeight: 405.238662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)([O-])OP(=O)(O)[O-])N2C=CC(=NC2=O)N.[NH4+].[NH4+]

Isomeric SMILES

C1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)(O)[O-])N2C=CC(=NC2=O)N.[NH4+].[NH4+]

InChI

InChI=1S/C9H15N3O9P2.2H3N/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16;;/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16);2*1H3/t6-,8+;;/m0../s1