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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

C1CCN(CC1)CCCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H49N9/c30-23-10-12-24(13-11-23)32-29-33-27(26-28(34-29)38(21-31-26)25-8-2-3-9-25)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)