N-[4-[[6-[2-(4-phenylphenoxy)ethylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[6-[2-(4-phenylphenoxy)ethylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[2-(4-phenylphenoxy)ethylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[6-[2-(4-phenylphenoxy)ethylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[6-[2-(4-phenylphenoxy)ethylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[2-(4-phenylphenoxy)ethylamino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C30H37N7O2 MolecularWeight: 527.66048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCOC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCOC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)C

InChI

InChI=1S/C30H37N7O2/c1-20(2)37-19-32-27-28(31-17-18-39-26-15-9-23(10-16-26)22-7-5-4-6-8-22)35-30(36-29(27)37)34-25-13-11-24(12-14-25)33-21(3)38/h4-10,15-16,19-20,24-25H,11-14,17-18H2,1-3H3,(H,33,38)(H2,31,34,35,36)