N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C16H16BrN5O3 MolecularWeight: 406.23394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

InChI

InChI=1S/C16H16BrN5O3/c1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h4-6,8H,7H2,1-3H3,(H,19,23)