N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[3-(1-piperidyl)propyl]-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[3-(1-piperidinyl)propyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(3-piperidinopropyl)piperidino]amino]purin-6-yl]amine Formula: C29H49N9 MolecularWeight: 523.75966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

C1CCN(CC1)CCCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H49N9/c30-23-10-12-24(13-11-23)32-27-26-28(38(21-31-26)25-8-2-3-9-25)34-29(33-27)35-37-19-14-22(15-20-37)7-6-18-36-16-4-1-5-17-36/h21-25H,1-20,30H2,(H2,32,33,34,35)