3-[2-[4-(7H-purin-6-yl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(7H-purin-6-yl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(7H-purin-6-yl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(7H-purin-6-yl)-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(7H-purin-6-yl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(7H-purin-6-yl)piperazino]-8-quinolyl]benzonitrile Formula: C25H20N8 MolecularWeight: 432.4799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C25H20N8/c26-14-17-3-1-5-19(13-17)20-6-2-4-18-7-8-21(31-22(18)20)32-9-11-33(12-10-32)25-23-24(28-15-27-23)29-16-30-25/h1-8,13,15-16H,9-12H2,(H,27,28,29,30)