4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-(phenylcarbonyl)piperidine-1-carboxamide

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-(phenylcarbonyl)piperidine-1-carboxamide Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-benzoyl-piperidine-1-carboxamide CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-N-benzoyl-1-piperidinecarboxamide IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-benzoylpiperidine-1-carboxamide Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-benzoyl-piperidine-1-carboxamide Formula: C29H39N9O2 MolecularWeight: 545.67906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)NC(=O)C5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)NC(=O)C5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C29H39N9O2/c30-20-10-12-21(13-11-20)33-28-34-25(24-26(35-28)38(18-31-24)23-8-4-5-9-23)32-22-14-16-37(17-15-22)29(40)36-27(39)19-6-2-1-3-7-19/h1-3,6-7,18,20-23H,4-5,8-17,30H2,(H,36,39,40)(H2,32,33,34,35)