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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2-methylsulfanylethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-methylsulfanylethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[2-(methylthio)ethyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-methylsulfanylethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-[2-(methylthio)ethyl]piperidino]amino]purin-2-yl]amine Formula: C24H40N8S MolecularWeight: 472.693

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CSCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C24H40N8S/c1-33-15-12-17-10-13-31(14-11-17)30-22-21-23(32(16-26-21)20-4-2-3-5-20)29-24(28-22)27-19-8-6-18(25)7-9-19/h16-20H,2-15,25H2,1H3,(H2,27,28,29,30)