diazanium [5-[5-(2-bromanylethanoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl] phosphate

Systemtic Name: diazanium [5-[5-(2-bromanylethanoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl] phosphate Openeye Name: diammonium [5-[5-(2-bromoacetyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl] phosphate CAS Name: diammonium [5-[5-(2-bromo-1-oxoethyl)-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl] phosphate IUPAC Name: diazanium [5-[5-(2-bromoacetyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl] phosphate Traditional Name: diammonium [5-[5-(2-bromoacetyl)-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl] phosphate Formula: C10H18BrN4O9P MolecularWeight: 449.149081

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)C(=O)CBr)OP(=O)([O-])[O-])O.[NH4+].[NH4+]

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)C(=O)CBr)OP(=O)([O-])[O-])O.[NH4+].[NH4+]

InChI

InChI=1S/C10H12BrN2O9P.2H3N/c11-2-6(15)4-3-13(10(17)12-8(4)16)7-1-5(14)9(21-7)22-23(18,19)20;;/h3,5,7,9,14H,1-2H2,(H,12,16,17)(H2,18,19,20);2*1H3