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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN5O3/c1-9-6-10(4-5-11(9)17)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)