3-[[9-ethyl-2-(4-phenylpiperazin-1-yl)purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[9-ethyl-2-(4-phenylpiperazin-1-yl)purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-(4-phenylpiperazin-1-yl)purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-(4-phenyl-1-piperazinyl)-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-(4-phenylpiperazin-1-yl)purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-(4-phenylpiperazino)purin-6-yl]amino]benzonitrile Formula: C24H24N8 MolecularWeight: 424.50096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N8/c1-2-30-17-26-21-22(27-19-8-6-7-18(15-19)16-25)28-24(29-23(21)30)32-13-11-31(12-14-32)20-9-4-3-5-10-20/h3-10,15,17H,2,11-14H2,1H3,(H,27,28,29)