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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-4-ium-1-yl-purin-7-yl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-4-ium-1-yl-purin-7-yl)acetamide CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperazin-4-iumyl)-7-purinyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-4-ium-1-ylpurin-7-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-piperazin-4-ium-1-yl-purin-7-yl)acetamide Formula: C13H20N7O3+ MolecularWeight: 322.343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CC[NH2+]CC3)CC(=O)N

InChI

InChI=1S/C13H19N7O3/c1-17-10-9(11(22)18(2)13(17)23)20(7-8(14)21)12(16-10)19-5-3-15-4-6-19/h15H,3-7H2,1-2H3,(H2,14,21)/p+1