N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(2-phenoxyethyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(2-phenoxyethyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(2-phenoxyethyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(2-phenoxyethyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(2-phenoxyethyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(2-phenoxyethyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCOC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCOC6=CC=CC=C6

InChI

InChI=1S/C29H42N8O/c30-20-10-12-21(13-11-20)33-27-26-28(37(19-32-26)24-6-4-5-7-24)36-29(35-27)34-23-14-16-31-22(18-23)15-17-38-25-8-2-1-3-9-25/h1-3,8-9,19-24,31H,4-7,10-18,30H2,(H2,33,34,35,36)