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

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[4-(3-pyridyl)phenyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[[4-(3-pyridinyl)phenyl]methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[4-(3-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=CN=CC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

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

InChI

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