N-[4-[[9-methyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[9-methyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-methyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-methyl-6-[(4-phenylphenyl)methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-methyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-methyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C

Isomeric SMILES

CC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C

InChI

InChI=1S/C27H31N7O/c1-18(35)30-22-12-14-23(15-13-22)31-27-32-25(24-26(33-27)34(2)17-29-24)28-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17,22-23H,12-16H2,1-2H3,(H,30,35)(H2,28,31,32,33)