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

Systemtic Name: tripotassium [[5-(4-azanyl-5-oxidanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tripotassium [[5-(4-amino-5-hydroxy-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: tripotassium [[5-(4-amino-5-hydroxy-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: tripotassium [[5-(4-amino-5-hydroxy-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: tripotassium [[5-(4-amino-5-hydroxy-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C9H12K3N3O12P2 MolecularWeight: 533.446902

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N)O.[K+].[K+].[K+]

Isomeric SMILES

C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N)O.[K+].[K+].[K+]

InChI

InChI=1S/C9H15N3O12P2.3K/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(23-8)2-22-26(20,21)24-25(17,18)19;;;/h1,4-6,8,13-15H,2H2,(H,20,21)(H2,10,11,16)(H2,17,18,19);;;/q;3*+1/p-3