3-iodanyl-N-(2-methoxy-9-methyl-purin-6-yl)benzamide

Systemtic Name: 3-iodanyl-N-(2-methoxy-9-methyl-purin-6-yl)benzamide Openeye Name: 3-iodo-N-(2-methoxy-9-methyl-purin-6-yl)benzamide CAS Name: 3-iodo-N-(2-methoxy-9-methyl-6-purinyl)benzamide IUPAC Name: 3-iodo-N-(2-methoxy-9-methylpurin-6-yl)benzamide Traditional Name: 3-iodo-N-(2-methoxy-9-methyl-purin-6-yl)benzamide Formula: C14H12IN5O2 MolecularWeight: 409.18185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N=C2NC(=O)C3=CC(=CC=C3)I)OC

Isomeric SMILES

CN1C=NC2=C1N=C(N=C2NC(=O)C3=CC(=CC=C3)I)OC

InChI

InChI=1S/C14H12IN5O2/c1-20-7-16-10-11(18-14(22-2)19-12(10)20)17-13(21)8-4-3-5-9(15)6-8/h3-7H,1-2H3,(H,17,18,19,21)