N-[9-(2-hydroxyethyl)purin-6-yl]-3-iodanyl-benzamide

Systemtic Name: N-[9-(2-hydroxyethyl)purin-6-yl]-3-iodanyl-benzamide Openeye Name: N-[9-(2-hydroxyethyl)purin-6-yl]-3-iodo-benzamide CAS Name: N-[9-(2-hydroxyethyl)-6-purinyl]-3-iodobenzamide IUPAC Name: N-[9-(2-hydroxyethyl)purin-6-yl]-3-iodobenzamide Traditional Name: N-[9-(2-hydroxyethyl)purin-6-yl]-3-iodo-benzamide Formula: C14H12IN5O2 MolecularWeight: 409.18185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)NC2=NC=NC3=C2N=CN3CCO

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)NC2=NC=NC3=C2N=CN3CCO

InChI

InChI=1S/C14H12IN5O2/c15-10-3-1-2-9(6-10)14(22)19-12-11-13(17-7-16-12)20(4-5-21)8-18-11/h1-3,6-8,21H,4-5H2,(H,16,17,19,22)