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

Systemtic Name: 9-(4-cyanophenyl)purine-6-carbonitrile Openeye Name: 9-(4-cyanophenyl)purine-6-carbonitrile CAS Name: 9-(4-cyanophenyl)-6-purinecarbonitrile IUPAC Name: 9-(4-cyanophenyl)purine-6-carbonitrile Traditional Name: 9-(4-cyanophenyl)purine-6-carbonitrile Formula: C13H6N6 MolecularWeight: 246.22694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=NC3=C(N=CN=C32)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=NC3=C(N=CN=C32)C#N

InChI

InChI=1S/C13H6N6/c14-5-9-1-3-10(4-2-9)19-8-18-12-11(6-15)16-7-17-13(12)19/h1-4,7-8H