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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

Isomeric SMILES

CCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

InChI

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