2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-pentan-3-yl-azanium iodide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-pentan-3-yl-azanium iodide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl-(1-ethylpropyl)ammonium iodide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-pentan-3-ylammonium iodide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-pentan-3-ylazanium iodide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl-(1-ethylpropyl)ammonium iodide Formula: C14H24IN5O2 MolecularWeight: 421.27713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-]

InChI

InChI=1S/C14H23N5O2.HI/c1-5-10(6-2)15-7-8-19-9-16-12-11(19)13(20)18(4)14(21)17(12)3;/h9-10,15H,5-8H2,1-4H3;1H