tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate Openeye Name: tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate CAS Name: 5-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate Traditional Name: 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1C(=O)OC(C)(C)C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C1=CN=CN1C(=O)OC(C)(C)C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H23N7O2/c1-14(17-11-22-12-28(17)20(29)30-21(2,3)4)25-19-23-10-9-18(26-19)27-13-24-15-7-5-6-8-16(15)27/h5-14H,1-4H3,(H,23,25,26)