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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2-phenoxyethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-phenoxyethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-phenoxyethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-phenoxyethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-phenoxyethyl)piperidino]amino]purin-2-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCOC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCOC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8O/c30-22-10-12-23(13-11-22)32-29-33-27(26-28(34-29)37(20-31-26)24-6-4-5-7-24)35-36-17-14-21(15-18-36)16-19-38-25-8-2-1-3-9-25/h1-3,8-9,20-24H,4-7,10-19,30H2,(H2,32,33,34,35)