3-[(2-chloranyl-7H-purin-6-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]benzenecarbonitrile Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]benzonitrile CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]benzonitrile IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]benzonitrile Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]benzonitrile Formula: C12H7ClN6 MolecularWeight: 270.67718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2NC=N3)Cl)C#N

InChI

InChI=1S/C12H7ClN6/c13-12-18-10-9(15-6-16-10)11(19-12)17-8-3-1-2-7(4-8)5-14/h1-4,6H,(H2,15,16,17,18,19)