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

Systemtic Name: 3-[[9-ethyl-2-(3-methylpiperidin-1-yl)purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-(3-methyl-1-piperidyl)purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-(3-methyl-1-piperidinyl)-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-(3-methylpiperidin-1-yl)purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-(3-methylpiperidino)purin-6-yl]amino]benzonitrile Formula: C20H23N7 MolecularWeight: 361.44352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCCC(C4)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCCC(C4)C

InChI

InChI=1S/C20H23N7/c1-3-26-13-22-17-18(23-16-8-4-7-15(10-16)11-21)24-20(25-19(17)26)27-9-5-6-14(2)12-27/h4,7-8,10,13-14H,3,5-6,9,12H2,1-2H3,(H,23,24,25)