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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-iodanylphenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-iodophenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-iodophenyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-iodophenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-iodophenyl)butyramide Formula: C17H18IN5O3 MolecularWeight: 467.26099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18IN5O3/c1-21-15-14(16(25)22(2)17(21)26)23(10-19-15)8-4-7-13(24)20-12-6-3-5-11(18)9-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,20,24)