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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(thiophen-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-thienylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(thiophen-2-ylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(thiophen-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-thenyl)piperidino]amino]purin-2-yl]amine Formula: C26H38N8S MolecularWeight: 494.69852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CS5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CS5)NC6CCC(CC6)N

InChI

InChI=1S/C26H38N8S/c27-19-7-9-20(10-8-19)29-26-30-24(23-25(31-26)34(17-28-23)21-4-1-2-5-21)32-33-13-11-18(12-14-33)16-22-6-3-15-35-22/h3,6,15,17-21H,1-2,4-5,7-14,16,27H2,(H2,29,30,31,32)