2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-iodophenyl)propanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-iodophenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-iodophenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-iodophenyl)propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-iodophenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-iodophenyl)propionamide Formula: C16H16IN5O3 MolecularWeight: 453.23441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16IN5O3/c1-9(14(23)19-11-6-4-10(17)5-7-11)22-8-18-13-12(22)15(24)21(3)16(25)20(13)2/h4-9H,1-3H3,(H,19,23)