tetraazanium [[4-(6-azanyl-2-iodanyl-purin-9-yl)butoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: tetraazanium [[4-(6-azanyl-2-iodanyl-purin-9-yl)butoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tetraammonium [[4-(6-amino-2-iodo-purin-9-yl)butoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: tetraammonium [[4-(6-amino-2-iodo-9-purinyl)butoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: tetraazanium [[4-(6-amino-2-iodopurin-9-yl)butoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: tetraammonium [[4-(6-amino-2-iodo-purin-9-yl)butoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C9H27IN9O10P3 MolecularWeight: 641.190733

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N=C(N=C2N)I.[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N=C(N=C2N)I.[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C9H15IN5O10P3.4H3N/c10-9-13-7(11)6-8(14-9)15(5-12-6)3-1-2-4-23-27(19,20)25-28(21,22)24-26(16,17)18;;;;/h5H,1-4H2,(H,19,20)(H,21,22)(H2,11,13,14)(H2,16,17,18);4*1H3