2-tert-butyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine

Systemtic Name: 2-tert-butyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine Openeye Name: 2-tert-butyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine CAS Name: 2-tert-butyl-9-[3-(4-phenyl-1-piperazinyl)propyl]-6-purinamine IUPAC Name: 2-tert-butyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine Traditional Name: [2-tert-butyl-9-[3-(4-phenylpiperazino)propyl]purin-6-yl]amine Formula: C22H31N7 MolecularWeight: 393.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)N)N=CN2CCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)N)N=CN2CCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N7/c1-22(2,3)21-25-19(23)18-20(26-21)29(16-24-18)11-7-10-27-12-14-28(15-13-27)17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3,(H2,23,25,26)