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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC=CC=C6

InChI

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