2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(p-tolyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(p-tolyl)acetamide Formula: C16H16BrN5O3 MolecularWeight: 406.23394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

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