4-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]butanenitrile

Systemtic Name: 4-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]butanenitrile Openeye Name: 4-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]butanenitrile CAS Name: 4-[6-amino-2-[(3-iodophenyl)methyl]-9-purinyl]butanenitrile IUPAC Name: 4-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]butanenitrile Traditional Name: 4-[6-amino-2-(3-iodobenzyl)purin-9-yl]butyronitrile Formula: C16H15IN6 MolecularWeight: 418.23497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CCCC#N

InChI

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