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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-4-ium-1-yl-purin-7-yl]ethanamide Openeye Name: 2-(3-methyl-2,6-dioxo-8-piperazin-4-ium-1-yl-purin-7-yl)acetamide CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperazin-4-iumyl)-7-purinyl]acetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-8-piperazin-4-ium-1-ylpurin-7-yl)acetamide Traditional Name: 2-(2,6-diketo-3-methyl-8-piperazin-4-ium-1-yl-purin-7-yl)acetamide Formula: C12H18N7O3+ MolecularWeight: 308.31642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH2+]CC3)CC(=O)N

InChI

InChI=1S/C12H17N7O3/c1-17-9-8(10(21)16-12(17)22)19(6-7(13)20)11(15-9)18-4-2-14-3-5-18/h14H,2-6H2,1H3,(H2,13,20)(H,16,21,22)/p+1