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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-(3-phenoxypropyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-(3-phenoxypropyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-(3-phenoxypropyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-(3-phenoxypropyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[1-(3-phenoxypropyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C30H44N8O MolecularWeight: 532.72336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCN(CC5)CCCOC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCN(CC5)CCCOC6=CC=CC=C6

InChI

InChI=1S/C30H44N8O/c31-22-11-13-23(14-12-22)33-28-27-29(38(21-32-27)25-7-4-5-8-25)36-30(35-28)34-24-15-18-37(19-16-24)17-6-20-39-26-9-2-1-3-10-26/h1-3,9-10,21-25H,4-8,11-20,31H2,(H2,33,34,35,36)