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

Systemtic Name: 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N7O3+ MolecularWeight: 412.46554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC(=O)N)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC(=O)N)CCC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O3/c1-24-17-16(18(29)23-20(24)30)27(8-7-14-5-3-2-4-6-14)19(22-17)26-11-9-25(10-12-26)13-15(21)28/h2-6H,7-13H2,1H3,(H2,21,28)(H,23,29,30)/p+1