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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-(2-butylpiperidin-4-yl)-9-cyclopentyl-purine-2,6-diamine; N-propylpropan-1-amine Openeye Name: N6-(4-aminocyclohexyl)-N2-(2-butyl-4-piperidyl)-9-cyclopentyl-purine-2,6-diamine; N-propylpropan-1-amine CAS Name: N6-(4-aminocyclohexyl)-N2-(2-butyl-4-piperidinyl)-9-cyclopentylpurine-2,6-diamine; N-propyl-1-propanamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-(2-butylpiperidin-4-yl)-9-cyclopentylpurine-2,6-diamine; N-propylpropan-1-amine Traditional Name: (4-aminocyclohexyl)-[2-[(2-butyl-4-piperidyl)amino]-9-cyclopentyl-purin-6-yl]amine; dipropylamine Formula: C31H57N9 MolecularWeight: 555.84458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5.CCCNCCC

Isomeric SMILES

CCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5.CCCNCCC

InChI

InChI=1S/C25H42N8.C6H15N/c1-2-3-6-19-15-20(13-14-27-19)30-25-31-23(29-18-11-9-17(26)10-12-18)22-24(32-25)33(16-28-22)21-7-4-5-8-21;1-3-5-7-6-4-2/h16-21,27H,2-15,26H2,1H3,(H2,29,30,31,32);7H,3-6H2,1-2H3