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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C16H16IN5O3 MolecularWeight: 453.23441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16IN5O3/c1-9-4-5-10(6-11(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)