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

Systemtic Name: N-butyl-N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-butyl-N-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-butyl-N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-butyl-N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-butyl-N-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C33H43N7O MolecularWeight: 553.74082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(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

CCCCN(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/C33H43N7O/c1-5-6-20-39(24(4)41)29-18-16-28(17-19-29)36-33-37-31(30-32(38-33)40(22-35-30)23(2)3)34-21-25-12-14-27(15-13-25)26-10-8-7-9-11-26/h7-15,22-23,28-29H,5-6,16-21H2,1-4H3,(H2,34,36,37,38)