diethyl-methyl-[1-(3-methyl-6-oxidanylidene-purin-7-yl)-1-oxidanylidene-propan-2-yl]azanium iodide

Systemtic Name: diethyl-methyl-[1-(3-methyl-6-oxidanylidene-purin-7-yl)-1-oxidanylidene-propan-2-yl]azanium iodide Openeye Name: diethyl-methyl-[1-methyl-2-(3-methyl-6-oxo-purin-7-yl)-2-oxo-ethyl]ammonium iodide CAS Name: diethyl-methyl-[1-(3-methyl-6-oxo-7-purinyl)-1-oxopropan-2-yl]ammonium iodide IUPAC Name: diethyl-methyl-[1-(3-methyl-6-oxopurin-7-yl)-1-oxopropan-2-yl]azanium iodide Traditional Name: diethyl-[2-keto-2-(6-keto-3-methyl-purin-7-yl)-1-methyl-ethyl]-methyl-ammonium iodide Formula: C14H22IN5O2 MolecularWeight: 419.26125

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C(C)C(=O)N1C=NC2=C1C(=O)N=CN2C.[I-]

Isomeric SMILES

CC[N+](C)(CC)C(C)C(=O)N1C=NC2=C1C(=O)N=CN2C.[I-]

InChI

InChI=1S/C14H22N5O2.HI/c1-6-19(5,7-2)10(3)14(21)18-9-15-12-11(18)13(20)16-8-17(12)4;/h8-10H,6-7H2,1-5H3;1H/q+1;/p-1