3-(6-chloranyl-2-iodanyl-9-methyl-purin-8-yl)benzenecarbonitrile

Systemtic Name: 3-(6-chloranyl-2-iodanyl-9-methyl-purin-8-yl)benzenecarbonitrile Openeye Name: 3-(6-chloro-2-iodo-9-methyl-purin-8-yl)benzonitrile CAS Name: 3-(6-chloro-2-iodo-9-methyl-8-purinyl)benzonitrile IUPAC Name: 3-(6-chloro-2-iodo-9-methylpurin-8-yl)benzonitrile Traditional Name: 3-(6-chloro-2-iodo-9-methyl-purin-8-yl)benzonitrile Formula: C13H7ClIN5 MolecularWeight: 395.58565

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)I)Cl)N=C1C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C(=NC(=N2)I)Cl)N=C1C3=CC=CC(=C3)C#N

InChI

InChI=1S/C13H7ClIN5/c1-20-11(8-4-2-3-7(5-8)6-16)17-9-10(14)18-13(15)19-12(9)20/h2-5H,1H3