9-(4-chlorophenyl)purine-6-carbonitrile

Systemtic Name: 9-(4-chlorophenyl)purine-6-carbonitrile Openeye Name: 9-(4-chlorophenyl)purine-6-carbonitrile CAS Name: 9-(4-chlorophenyl)-6-purinecarbonitrile IUPAC Name: 9-(4-chlorophenyl)purine-6-carbonitrile Traditional Name: 9-(4-chlorophenyl)purine-6-carbonitrile Formula: C12H6ClN5 MolecularWeight: 255.66254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=C(N=CN=C32)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=C(N=CN=C32)C#N)Cl

InChI

InChI=1S/C12H6ClN5/c13-8-1-3-9(4-2-8)18-7-17-11-10(5-14)15-6-16-12(11)18/h1-4,6-7H