N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[5-(3-phenylpropoxy)pentyl]piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[5-(3-phenylpropoxy)pentyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[5-(3-phenylpropoxy)pentyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[5-(3-phenylpropoxy)pentyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[5-(3-phenylpropoxy)pentyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[1-[5-(3-phenylpropoxy)pentyl]-4-piperidyl]amino]purin-6-yl]amine Formula: C35H54N8O MolecularWeight: 602.85626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCN(CC5)CCCCCOCCCC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCN(CC5)CCCCCOCCCC6=CC=CC=C6

InChI

InChI=1S/C35H54N8O/c36-28-15-17-29(18-16-28)38-33-32-34(43(26-37-32)31-13-5-6-14-31)41-35(40-33)39-30-19-22-42(23-20-30)21-7-2-8-24-44-25-9-12-27-10-3-1-4-11-27/h1,3-4,10-11,26,28-31H,2,5-9,12-25,36H2,(H2,38,39,40,41)