[5-phenyl-6-(pyrimidin-2-ylamino)hexyl] benzoate

Systemtic Name: [5-phenyl-6-(pyrimidin-2-ylamino)hexyl] benzoate Openeye Name: [5-phenyl-6-(pyrimidin-2-ylamino)hexyl] benzoate CAS Name: benzoic acid [5-phenyl-6-(2-pyrimidinylamino)hexyl] ester IUPAC Name: [5-phenyl-6-(pyrimidin-2-ylamino)hexyl] benzoate Traditional Name: benzoic acid [5-phenyl-6-(2-pyrimidylamino)hexyl] ester Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCOC(=O)C2=CC=CC=C2)CNC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCOC(=O)C2=CC=CC=C2)CNC3=NC=CC=N3

InChI

InChI=1S/C23H25N3O2/c27-22(20-12-5-2-6-13-20)28-17-8-7-14-21(19-10-3-1-4-11-19)18-26-23-24-15-9-16-25-23/h1-6,9-13,15-16,21H,7-8,14,17-18H2,(H,24,25,26)