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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-iodanyl-2-methyl-phenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-iodo-2-methyl-phenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-iodo-2-methylphenyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-iodo-2-methylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-iodo-2-methyl-phenyl)butyramide Formula: C18H20IN5O3 MolecularWeight: 481.28757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20IN5O3/c1-11-9-12(19)6-7-13(11)21-14(25)5-4-8-24-10-20-16-15(24)17(26)23(3)18(27)22(16)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,25)