N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(5-methoxy-1H-indol-3-yl)ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(5-methoxy-1H-indol-3-yl)ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(5-methoxy-1H-indol-3-yl)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(5-methoxy-1H-indol-3-yl)ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]purin-2-yl]amine Formula: C27H36N8O MolecularWeight: 488.62774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C27H36N8O/c1-36-21-10-11-23-22(14-21)17(15-30-23)12-13-29-25-24-26(35(16-31-24)20-4-2-3-5-20)34-27(33-25)32-19-8-6-18(28)7-9-19/h10-11,14-16,18-20,30H,2-9,12-13,28H2,1H3,(H2,29,32,33,34)