[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C9H11N3O11P2-4 MolecularWeight: 399.144662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O

InChI

InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(14)11-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H2,10,11,14)(H2,15,16,17)(H2,18,19,20)/p-4