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

Systemtic Name: tetraazanium [[4-(6-azanyl-2-pent-4-ynyl-purin-9-yl)butoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tetraammonium [[4-(6-amino-2-pent-4-ynyl-purin-9-yl)butoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: tetraammonium [[4-(6-amino-2-pent-4-ynyl-9-purinyl)butoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: tetraazanium [[4-(6-amino-2-pent-4-ynylpurin-9-yl)butoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: tetraammonium [[4-(6-amino-2-pent-4-ynyl-purin-9-yl)butoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C14H34N9O10P3 MolecularWeight: 581.395343

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C#CCCCC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C14H22N5O10P3.4H3N/c1-2-3-4-7-11-17-13(15)12-14(18-11)19(10-16-12)8-5-6-9-27-31(23,24)29-32(25,26)28-30(20,21)22;;;;/h1,10H,3-9H2,(H,23,24)(H,25,26)(H2,15,17,18)(H2,20,21,22);4*1H3