4-(6-chloranyl-8-methyl-purin-9-yl)benzenecarbonitrile

Systemtic Name: 4-(6-chloranyl-8-methyl-purin-9-yl)benzenecarbonitrile Openeye Name: 4-(6-chloro-8-methyl-purin-9-yl)benzonitrile CAS Name: 4-(6-chloro-8-methyl-9-purinyl)benzonitrile IUPAC Name: 4-(6-chloro-8-methylpurin-9-yl)benzonitrile Traditional Name: 4-(6-chloro-8-methyl-purin-9-yl)benzonitrile Formula: C13H8ClN5 MolecularWeight: 269.68912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)C#N)N=CN=C2Cl

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)C#N)N=CN=C2Cl

InChI

InChI=1S/C13H8ClN5/c1-8-18-11-12(14)16-7-17-13(11)19(8)10-4-2-9(6-15)3-5-10/h2-5,7H,1H3