N-[4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[4-(2-pyridyl)benzyl]amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C28H34N8O MolecularWeight: 498.62256

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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)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N8O/c1-18(2)36-17-31-25-26(30-16-20-7-9-21(10-8-20)24-6-4-5-15-29-24)34-28(35-27(25)36)33-23-13-11-22(12-14-23)32-19(3)37/h4-10,15,17-18,22-23H,11-14,16H2,1-3H3,(H,32,37)(H2,30,33,34,35)