triazanium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate

Systemtic Name: triazanium [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate Openeye Name: triammonium [5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate CAS Name: triammonium [5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-[cyano(phosphonato)boranyl]phosphinate IUPAC Name: triazanium [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate Traditional Name: triammonium [5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate Formula: C10H24BN7O9P2 MolecularWeight: 459.097582

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Descriptors Computed from Structure

Canonical SMILES:

B(C#N)(P(=O)([O-])[O-])P(=O)([O-])OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[NH4+].[NH4+].[NH4+]

Isomeric SMILES

B(C#N)(P(=O)([O-])[O-])P(=O)([O-])OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C10H15BN4O9P2.3H3N/c12-5-11(25(18,19)20)26(21,22)23-4-7-6(16)3-9(24-7)15-2-1-8(13)14-10(15)17;;;/h1-2,6-7,9,16H,3-4H2,(H,21,22)(H2,13,14,17)(H2,18,19,20);3*1H3