tert-butyl 3-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]-ethyl-amino]benzoate

Systemtic Name: tert-butyl 3-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]-ethyl-amino]benzoate Openeye Name: tert-butyl 3-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]-ethyl-amino]benzoate CAS Name: 3-[[6-(1-benzimidazolyl)-4H-pyrimidin-3-yl]-ethylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]-ethylamino]benzoate Traditional Name: 3-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]-ethyl-amino]benzoic acid tert-butyl ester Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C(=O)OC(C)(C)C)N2CC=C(N=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCN(C1=CC=CC(=C1)C(=O)OC(C)(C)C)N2CC=C(N=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C24H27N5O2/c1-5-29(19-10-8-9-18(15-19)23(30)31-24(2,3)4)27-14-13-22(26-16-27)28-17-25-20-11-6-7-12-21(20)28/h6-13,15-17H,5,14H2,1-4H3