2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-isobutyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(2-methylpropyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(2-methylpropyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-isobutyl-acetamide Formula: C13H20N5O3+ MolecularWeight: 294.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC(=O)C[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H19N5O3/c1-8(2)5-14-9(19)6-18-7-15-11-10(18)12(20)17(4)13(21)16(11)3/h7-8H,5-6H2,1-4H3,(H,14,19)/p+1