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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(N)NC2=NC3=C(C(=N2)NN4CCC(CC4)CCN5CCCC5)N=CN3C6CCCC6

Isomeric SMILES

C1CCC(CC1)(N)NC2=NC3=C(C(=N2)NN4CCC(CC4)CCN5CCCC5)N=CN3C6CCCC6

InChI

InChI=1S/C27H45N9/c28-27(13-4-1-5-14-27)32-26-30-24(23-25(31-26)36(20-29-23)22-8-2-3-9-22)33-35-18-11-21(12-19-35)10-17-34-15-6-7-16-34/h20-22H,1-19,28H2,(H2,30,31,32,33)