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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(4-pyridin-3-ylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[4-(3-pyridyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[[4-(3-pyridinyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-pyridin-3-ylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[4-(3-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=CN=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

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

InChI

InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-22-11-9-21(27)10-12-22)29-14-18-5-7-19(8-6-18)20-4-3-13-28-15-20/h3-8,13,15-17,21-22H,9-12,14,27H2,1-2H3,(H2,29,31,32,33)