N2-(4-azanylcyclohexyl)-N6-(4-butylpiperidin-1-yl)-9-cyclopentyl-purine-2,6-diamine; methanamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(4-butylpiperidin-1-yl)-9-cyclopentyl-purine-2,6-diamine; methanamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-butyl-1-piperidyl)-9-cyclopentyl-purine-2,6-diamine; methanamine CAS Name: N2-(4-aminocyclohexyl)-N6-(4-butyl-1-piperidinyl)-9-cyclopentylpurine-2,6-diamine; methanamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-butylpiperidin-1-yl)-9-cyclopentylpurine-2,6-diamine; methanamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-butylpiperidino)amino]-9-cyclopentyl-purin-2-yl]amine; methylamine Formula: C26H47N9 MolecularWeight: 485.71168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.CN

Isomeric SMILES

CCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.CN

InChI

InChI=1S/C25H42N8.CH5N/c1-2-3-6-18-13-15-32(16-14-18)31-23-22-24(33(17-27-22)21-7-4-5-8-21)30-25(29-23)28-20-11-9-19(26)10-12-20;1-2/h17-21H,2-16,26H2,1H3,(H2,28,29,30,31);2H2,1H3