2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H15BrN6O3 MolecularWeight: 383.2006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N(C)CCC#N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N(C)CCC#N)Br

InChI

InChI=1S/C13H15BrN6O3/c1-17(6-4-5-15)8(21)7-20-10-9(16-12(20)14)11(22)19(3)13(23)18(10)2/h4,6-7H2,1-3H3