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

Systemtic Name: 3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazino]purin-6-yl]amino]benzonitrile Formula: C25H26N8O MolecularWeight: 454.52694

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N8O/c1-3-31-17-27-22-23(28-19-6-4-5-18(15-19)16-26)29-25(30-24(22)31)33-13-11-32(12-14-33)20-7-9-21(34-2)10-8-20/h4-10,15,17H,3,11-14H2,1-2H3,(H,28,29,30)