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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxyhexyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxyhexyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-propoxyhexyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(1-propoxyhexyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(1-propoxyhexyl)piperidino]amino]purin-2-yl]amine Formula: C30H52N8O MolecularWeight: 540.78688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCC

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCC

InChI

InChI=1S/C30H52N8O/c1-3-5-6-11-26(39-20-4-2)22-16-18-37(19-17-22)36-28-27-29(38(21-32-27)25-9-7-8-10-25)35-30(34-28)33-24-14-12-23(31)13-15-24/h21-26H,3-20,31H2,1-2H3,(H2,33,34,35,36)