N-[9-(2-bromanylprop-2-enyl)purin-6-yl]-N-(phenylcarbonyl)benzamide

Systemtic Name: N-[9-(2-bromanylprop-2-enyl)purin-6-yl]-N-(phenylcarbonyl)benzamide Openeye Name: N-benzoyl-N-[9-(2-bromoallyl)purin-6-yl]benzamide CAS Name: N-benzoyl-N-[9-(2-bromoprop-2-enyl)-6-purinyl]benzamide IUPAC Name: N-benzoyl-N-[9-(2-bromoprop-2-enyl)purin-6-yl]benzamide Traditional Name: N-benzoyl-N-[9-(2-bromoallyl)purin-6-yl]benzamide Formula: C22H16BrN5O2 MolecularWeight: 462.29874

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1C=NC2=C1N=CN=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C=C(CN1C=NC2=C1N=CN=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H16BrN5O2/c1-15(23)12-27-14-26-18-19(27)24-13-25-20(18)28(21(29)16-8-4-2-5-9-16)22(30)17-10-6-3-7-11-17/h2-11,13-14H,1,12H2