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

Systemtic Name: N2-(2-azanylcyclohexyl)-9-propan-2-yl-N6-[(4-pyridin-2-ylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-9-isopropyl-N6-[[4-(2-pyridyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-9-propan-2-yl-N6-[[4-(2-pyridinyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-pyridin-2-ylphenyl)methyl]purine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[9-isopropyl-6-[[4-(2-pyridyl)benzyl]amino]purin-2-yl]amine Formula: C26H32N8 MolecularWeight: 456.58588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC5CCCCC5N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC5CCCCC5N

InChI

InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-22-9-4-3-7-20(22)27)29-15-18-10-12-19(13-11-18)21-8-5-6-14-28-21/h5-6,8,10-14,16-17,20,22H,3-4,7,9,15,27H2,1-2H3,(H2,29,31,32,33)