triazanium [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]-phosphonato-boron

Systemtic Name: triazanium [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]-phosphonato-boron Openeye Name: triammonium [[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]-phosphonato-boron CAS Name: triammonium [[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]-phosphonatoboron IUPAC Name: triazanium [[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]-phosphonatoboron Traditional Name: triammonium [[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]-phosphonato-boron Formula: C9H24BN6O9P2 MolecularWeight: 433.080182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15BN3O9P2.3H3N/c11-7-1-2-13(9(15)12-7)8-3-5(14)6(22-8)4-21-24(19,20)10-23(16,17)18;;;/h1-2,5-6,8,14H,3-4H2,(H,19,20)(H2,11,12,15)(H2,16,17,18);3*1H3