N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[5-(diethylamino)pentyl]piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[5-(diethylamino)pentyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[5-(diethylamino)pentyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[5-(diethylamino)pentyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[5-(diethylamino)pentyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: 5-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidino]pentyl-diethyl-amine Formula: C30H53N9 MolecularWeight: 539.80212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCN(CC)CCCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C30H53N9/c1-3-37(4-2)18-8-5-9-19-38-20-16-25(17-21-38)34-30-35-28(33-24-14-12-23(31)13-15-24)27-29(36-30)39(22-32-27)26-10-6-7-11-26/h22-26H,3-21,31H2,1-2H3,(H2,33,34,35,36)