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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(2-pyrrolidinoethyl)piperidino]amino]purin-6-yl]amine Formula: C27H45N9 MolecularWeight: 495.7065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCN6CCCC6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCN6CCCC6

InChI

InChI=1S/C27H45N9/c28-21-7-9-22(10-8-21)30-25-24-26(36(19-29-24)23-5-1-2-6-23)32-27(31-25)33-35-17-12-20(13-18-35)11-16-34-14-3-4-15-34/h19-23H,1-18,28H2,(H2,30,31,32,33)