3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione triphosphate

Systemtic Name: 3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione triphosphate Openeye Name: 3-(2-hydroxyethyl)-1,7-dimethyl-purine-2,6-dione triphosphate CAS Name: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione triphosphate IUPAC Name: 3-(2-hydroxyethyl)-1,7-dimethylpurine-2,6-dione triphosphate Traditional Name: 3-(2-hydroxyethyl)-1,7-dimethyl-xanthine triphosphate Formula: C9H12N4O15P3-9 MolecularWeight: 509.130663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CCO)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CCO)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H12N4O3.3H3O4P/c1-11-5-10-7-6(11)8(15)12(2)9(16)13(7)3-4-14;3*1-5(2,3)4/h5,14H,3-4H2,1-2H3;3*(H3,1,2,3,4)/p-9