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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[6-(3-fluorophenyl)pyridin-3-yl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[6-(3-fluorophenyl)-3-pyridyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[6-(3-fluorophenyl)pyridin-3-yl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[6-(3-fluorophenyl)-3-pyridyl]methylamino]-9-isopropyl-purin-2-yl]amine Formula: C26H31FN8 MolecularWeight: 474.576343

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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)F)NC5CCC(CC5)N

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)