7H-purine azide triphosphate

Systemtic Name: 7H-purine azide triphosphate Openeye Name: 7H-purine azide triphosphate CAS Name: 7H-purine azide triphosphate IUPAC Name: 7H-purine azide triphosphate Traditional Name: 7H-purine azide triphosphate Formula: C5H4N7O12P3-10 MolecularWeight: 447.046243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N=CN2.[N-]=[N+]=[N-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=C2C(=NC=N1)N=CN2.[N-]=[N+]=[N-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C5H4N4.N3.3H3O4P/c1-4-5(8-2-6-1)9-3-7-4;1-3-2;3*1-5(2,3)4/h1-3H,(H,6,7,8,9);;3*(H3,1,2,3,4)/q;-1;;;/p-9