N-[1-[3-(6-azanyl-2-ethyl-purin-9-yl)propyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[3-(6-azanyl-2-ethyl-purin-9-yl)propyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[3-(6-amino-2-ethyl-purin-9-yl)propyl]-4-piperidyl]benzamide CAS Name: N-[1-[3-(6-amino-2-ethyl-9-purinyl)propyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[3-(6-amino-2-ethylpurin-9-yl)propyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[3-(6-amino-2-ethyl-purin-9-yl)propyl]-4-piperidyl]benzamide Formula: C22H29N7O MolecularWeight: 407.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(C(=N1)N)N=CN2CCCN3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N7O/c1-2-18-26-20(23)19-21(27-18)29(15-24-19)12-6-11-28-13-9-17(10-14-28)25-22(30)16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3,(H,25,30)(H2,23,26,27)