2-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide Formula: C14H22N7O3+ MolecularWeight: 336.36958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N7O3/c1-3-21-10-11(18(2)14(24)17-12(10)23)16-13(21)20-6-4-19(5-7-20)8-9(15)22/h3-8H2,1-2H3,(H2,15,22)(H,17,23,24)/p+1