2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C15H12BrClN6O5 MolecularWeight: 471.64998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C15H12BrClN6O5/c1-20-12-11(13(25)21(2)15(20)26)19-14(16)22(12)6-10(24)18-9-4-3-7(23(27)28)5-8(9)17/h3-5H,6H2,1-2H3,(H,18,24)