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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(2-cyanoethyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2-cyanoethyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(2-cyanoethyl)acetamide Formula: C12H13BrN6O3 MolecularWeight: 369.17402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN6O3/c1-17-9-8(10(21)18(2)12(17)22)16-11(13)19(9)6-7(20)15-5-3-4-14/h3,5-6H2,1-2H3,(H,15,20)