tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate

Systemtic Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate Openeye Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate CAS Name: 3-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate Traditional Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid tert-butyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)OC(C)(C)C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)OC(C)(C)C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C24H25N5O2/c1-16(17-8-7-9-18(14-17)22(30)31-24(2,3)4)27-23-25-13-12-21(28-23)29-15-26-19-10-5-6-11-20(19)29/h5-16H,1-4H3,(H,25,27,28)