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

Systemtic Name: [[[(5R)-5-(4-azanyl-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[[(5R)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: [[[(5R)-5-(4-amino-5-bromo-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[[(5R)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: [[[(5R)-5-(4-amino-5-bromo-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C9H11BrN3O13P3-4 MolecularWeight: 542.021223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=NC2=O)N)Br)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O

Isomeric SMILES

C1[C@@H](OC(C1O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N2C=C(C(=NC2=O)N)Br

InChI

InChI=1S/C9H15BrN3O13P3/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,14H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/p-4/t5?,6?,7-/m1/s1