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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(phenylmethyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(1-benzyl-4-piperidyl)-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(phenylmethyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(1-benzylpiperidin-4-yl)-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(1-benzyl-4-piperidyl)amino]-9-cyclopentyl-purin-2-yl]amine Formula: C28H40N8 MolecularWeight: 488.6708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C28H40N8/c29-21-10-12-22(13-11-21)32-28-33-26(25-27(34-28)36(19-30-25)24-8-4-5-9-24)31-23-14-16-35(17-15-23)18-20-6-2-1-3-7-20/h1-3,6-7,19,21-24H,4-5,8-18,29H2,(H2,31,32,33,34)