4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C31H40N8O MolecularWeight: 540.7023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H40N8O/c1-3-5-12-24(4-2)21-32-28-27-29(39(23-33-27)22-25-13-8-6-9-14-25)36-30(35-28)37-17-19-38(20-18-37)31(40)34-26-15-10-7-11-16-26/h6-11,13-16,23-24H,3-5,12,17-22H2,1-2H3,(H,34,40)(H,32,35,36)