trisodium [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: trisodium [[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C9H12N3Na3O10P2 MolecularWeight: 453.122512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C9H15N3O10P2.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3