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

Systemtic Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]-N-propyl-ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]-N-propyl-acetamide CAS Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]-N-propylacetamide IUPAC Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]-N-propylacetamide Traditional Name: N-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]-N-propyl-acetamide Formula: C32H41N7O MolecularWeight: 539.71424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C)C(=O)C

Isomeric SMILES

CCCN(C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C)C(=O)C

InChI

InChI=1S/C32H41N7O/c1-5-19-38(23(4)40)28-17-15-27(16-18-28)35-32-36-30(29-31(37-32)39(21-34-29)22(2)3)33-20-24-11-13-26(14-12-24)25-9-7-6-8-10-25/h6-14,21-22,27-28H,5,15-20H2,1-4H3,(H2,33,35,36,37)