diethyl-methyl-[4-methyl-8-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-4-oxidanyl-oct-2-ynyl]azanium iodide

Systemtic Name: diethyl-methyl-[4-methyl-8-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-4-oxidanyl-oct-2-ynyl]azanium iodide Openeye Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)oct-2-ynyl]-methyl-ammonium iodide CAS Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)oct-2-ynyl]-methylammonium iodide IUPAC Name: diethyl-[4-hydroxy-4-methyl-8-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)oct-2-ynyl]-methylazanium iodide Traditional Name: [8-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)-4-hydroxy-4-methyl-oct-2-ynyl]-diethyl-methyl-ammonium iodide Formula: C23H38IN5O3 MolecularWeight: 559.48399

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CC[N+](C)(CC)CC)O.[I-]

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CC[N+](C)(CC)CC)O.[I-]

InChI

InChI=1S/C23H38N5O3.HI/c1-7-15-26-18-24-20-19(26)21(29)27(22(30)25(20)5)16-11-10-13-23(4,31)14-12-17-28(6,8-2)9-3;/h18,31H,7-11,13,15-17H2,1-6H3;1H/q+1;/p-1