4-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]butanenitrile

Systemtic Name: 4-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]butanenitrile Openeye Name: 4-[6-[(3-iodophenyl)methylamino]purin-9-yl]butanenitrile CAS Name: 4-[6-[(3-iodophenyl)methylamino]-9-purinyl]butanenitrile IUPAC Name: 4-[6-[(3-iodophenyl)methylamino]purin-9-yl]butanenitrile Traditional Name: 4-[6-[(3-iodobenzyl)amino]purin-9-yl]butyronitrile Formula: C16H15IN6 MolecularWeight: 418.23497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3CCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3CCCC#N

InChI

InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)