3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione iodide

Systemtic Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione iodide Openeye Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-dione iodide CAS Name: 3-(2-hydroxyethyl)-1,7,9-trimethylpurin-9-ium-2,6-dione iodide IUPAC Name: 3-(2-hydroxyethyl)-1,7,9-trimethylpurin-9-ium-2,6-dione iodide Traditional Name: 3-(2-hydroxyethyl)-1,7,9-trimethyl-purin-9-ium-2,6-quinone iodide Formula: C10H15IN4O3 MolecularWeight: 366.15557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N(C(=O)N2CCO)C)C.[I-]

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N(C(=O)N2CCO)C)C.[I-]

InChI

InChI=1S/C10H15N4O3.HI/c1-11-6-12(2)8-7(11)9(16)13(3)10(17)14(8)4-5-15;/h6,15H,4-5H2,1-3H3;1H/q+1;/p-1