N-(2-ethylhexyl)-9-(phenylmethyl)-2-piperazin-1-yl-purin-6-amine

Systemtic Name: N-(2-ethylhexyl)-9-(phenylmethyl)-2-piperazin-1-yl-purin-6-amine Openeye Name: 9-benzyl-N-(2-ethylhexyl)-2-piperazin-1-yl-purin-6-amine CAS Name: N-(2-ethylhexyl)-9-(phenylmethyl)-2-(1-piperazinyl)-6-purinamine IUPAC Name: 9-benzyl-N-(2-ethylhexyl)-2-piperazin-1-ylpurin-6-amine Traditional Name: (9-benzyl-2-piperazino-purin-6-yl)-(2-ethylhexyl)amine Formula: C24H35N7 MolecularWeight: 421.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C24H35N7/c1-3-5-9-19(4-2)16-26-22-21-23(29-24(28-22)30-14-12-25-13-15-30)31(18-27-21)17-20-10-7-6-8-11-20/h6-8,10-11,18-19,25H,3-5,9,12-17H2,1-2H3,(H,26,28,29)