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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2-methoxyphenyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-methoxyphenyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-methoxyphenyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-methoxyphenyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-methoxyphenyl)piperidino]amino]purin-2-yl]amine Formula: C28H40N8O MolecularWeight: 504.6702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC=CC=C1C2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C28H40N8O/c1-37-24-9-5-4-8-23(24)19-14-16-35(17-15-19)34-26-25-27(36(18-30-25)22-6-2-3-7-22)33-28(32-26)31-21-12-10-20(29)11-13-21/h4-5,8-9,18-22H,2-3,6-7,10-17,29H2,1H3,(H2,31,32,33,34)