N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-phenoxyphenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-phenoxyphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(3-phenoxybenzyl)piperidino]amino]purin-2-yl]amine Formula: C34H44N8O MolecularWeight: 580.76616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)NC7CCC(CC7)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)NC7CCC(CC7)N

InChI

InChI=1S/C34H44N8O/c35-26-13-15-27(16-14-26)37-34-38-32(31-33(39-34)42(23-36-31)28-8-4-5-9-28)40-41-19-17-24(18-20-41)21-25-7-6-12-30(22-25)43-29-10-2-1-3-11-29/h1-3,6-7,10-12,22-24,26-28H,4-5,8-9,13-21,35H2,(H2,37,38,39,40)