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

Systemtic Name: 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H28N7O3+ MolecularWeight: 378.44932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N7O3/c1-11(2)4-5-24-13-14(21(3)17(27)20-15(13)26)19-16(24)23-8-6-22(7-9-23)10-12(18)25/h11H,4-10H2,1-3H3,(H2,18,25)(H,20,26,27)/p+1