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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxypropyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxypropyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxypropyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(1-propoxypropyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(1-propoxypropyl)piperidino]amino]purin-2-yl]amine Formula: C27H46N8O MolecularWeight: 498.70714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCOC(CC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H46N8O/c1-3-17-36-23(4-2)19-13-15-34(16-14-19)33-25-24-26(35(18-29-24)22-7-5-6-8-22)32-27(31-25)30-21-11-9-20(28)10-12-21/h18-23H,3-17,28H2,1-2H3,(H2,30,31,32,33)