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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(6-pyridin-2-ylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[6-(2-pyridyl)-3-pyridyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[[6-(2-pyridinyl)-3-pyridinyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-pyridin-2-ylpyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[6-(2-pyridyl)-3-pyridyl]methylamino]purin-2-yl]amine Formula: C25H31N9 MolecularWeight: 457.57394

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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=N4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC=CC=N4)NC5CCC(CC5)N

InChI

InChI=1S/C25H31N9/c1-16(2)34-15-30-22-23(32-25(33-24(22)34)31-19-9-7-18(26)8-10-19)29-14-17-6-11-21(28-13-17)20-5-3-4-12-27-20/h3-6,11-13,15-16,18-19H,7-10,14,26H2,1-2H3,(H2,29,31,32,33)