3-[(2-chloranyl-9-ethyl-purin-6-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(2-chloranyl-9-ethyl-purin-6-yl)amino]benzenecarbonitrile Openeye Name: 3-[(2-chloro-9-ethyl-purin-6-yl)amino]benzonitrile CAS Name: 3-[(2-chloro-9-ethyl-6-purinyl)amino]benzonitrile IUPAC Name: 3-[(2-chloro-9-ethylpurin-6-yl)amino]benzonitrile Traditional Name: 3-[(2-chloro-9-ethyl-purin-6-yl)amino]benzonitrile Formula: C14H11ClN6 MolecularWeight: 298.73034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C14H11ClN6/c1-2-21-8-17-11-12(19-14(15)20-13(11)21)18-10-5-3-4-9(6-10)7-16/h3-6,8H,2H2,1H3,(H,18,19,20)