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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-isopropyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-propan-2-ylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-propan-2-ylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-isopropyl-acetamide Formula: C12H18N5O3+ MolecularWeight: 280.30302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c1-7(2)14-8(18)5-17-6-13-10-9(17)11(19)16(4)12(20)15(10)3/h6-7H,5H2,1-4H3,(H,14,18)/p+1