N2-(4-azanylcyclohexyl)-N6-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[6-(3-methoxyphenyl)-3-pyridyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[6-(3-methoxyphenyl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[6-(3-methoxyphenyl)-3-pyridyl]methylamino]purin-2-yl]amine Formula: C27H34N8O MolecularWeight: 486.61186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC(=CC=C4)OC)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC(=CC=C4)OC)NC5CCC(CC5)N

InChI

InChI=1S/C27H34N8O/c1-17(2)35-16-31-24-25(33-27(34-26(24)35)32-21-10-8-20(28)9-11-21)30-15-18-7-12-23(29-14-18)19-5-4-6-22(13-19)36-3/h4-7,12-14,16-17,20-21H,8-11,15,28H2,1-3H3,(H2,30,32,33,34)