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

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

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H16IN5O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-7-12(23)19-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,19,23)