2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-iodanylphenyl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(2-iodophenyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(2-iodophenyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-iodophenyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(2-iodophenyl)acetamide Formula: C15H14IN5O3 MolecularWeight: 439.20783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3I

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C15H14IN5O3/c1-19-8-17-13-12(19)14(23)21(15(24)20(13)2)7-11(22)18-10-6-4-3-5-9(10)16/h3-6,8H,7H2,1-2H3,(H,18,22)