N-[4-[[9-propan-2-yl-6-[(6-pyridin-2-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(6-pyridin-2-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[6-(2-pyridyl)-3-pyridyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[[6-(2-pyridinyl)-3-pyridinyl]methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(6-pyridin-2-ylpyridin-3-yl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[6-(2-pyridyl)-3-pyridyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C27H33N9O MolecularWeight: 499.61062

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N9O/c1-17(2)36-16-31-24-25(30-15-19-7-12-23(29-14-19)22-6-4-5-13-28-22)34-27(35-26(24)36)33-21-10-8-20(9-11-21)32-18(3)37/h4-7,12-14,16-17,20-21H,8-11,15H2,1-3H3,(H,32,37)(H2,30,33,34,35)