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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

Isomeric SMILES

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

InChI

InChI=1S/C27H46N8O/c1-3-7-23(36-4-2)22-16-20(14-15-29-22)32-27-33-25(31-19-12-10-18(28)11-13-19)24-26(34-27)35(17-30-24)21-8-5-6-9-21/h17-23,29H,3-16,28H2,1-2H3,(H2,31,32,33,34)