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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(cyanomethyl)-N-phenyl-acetamide Formula: C17H15BrN6O3 MolecularWeight: 431.2434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N(CC#N)C3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N(CC#N)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H15BrN6O3/c1-21-14-13(15(26)22(2)17(21)27)20-16(18)24(14)10-12(25)23(9-8-19)11-6-4-3-5-7-11/h3-7H,9-10H2,1-2H3