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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)NC7CCC(CC7)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)NC7CCC(CC7)N

InChI

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