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

Systemtic Name: 2-[4-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(7-isobutyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(7-isobutyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide Formula: C16H26N7O3+ MolecularWeight: 364.42274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N7O3/c1-10(2)8-23-12-13(20(3)16(26)19-14(12)25)18-15(23)22-6-4-21(5-7-22)9-11(17)24/h10H,4-9H2,1-3H3,(H2,17,24)(H,19,25,26)/p+1