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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCCOC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCCOC5=CC=CC=C5)NC6CCC(CC6)N

InChI

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