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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[2-(1-piperidyl)ethyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[2-(1-piperidinyl)ethyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-piperidinoethyl)piperidino]amino]purin-2-yl]amine Formula: C28H47N9 MolecularWeight: 509.73308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

C1CCN(CC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C28H47N9/c29-22-8-10-23(11-9-22)31-28-32-26(25-27(33-28)37(20-30-25)24-6-2-3-7-24)34-36-18-13-21(14-19-36)12-17-35-15-4-1-5-16-35/h20-24H,1-19,29H2,(H2,31,32,33,34)