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

Systemtic Name: tert-butyl 3-[1-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[1-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]amino]ethyl]indole-1-carboxylate CAS Name: 3-[1-[[6-(1-benzimidazolyl)-4H-pyrimidin-3-yl]amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]amino]ethyl]indole-1-carboxylate Traditional Name: 3-[1-[[6-(benzimidazol-1-yl)-4H-pyrimidin-3-yl]amino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NN3CC=C(N=C3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NN3CC=C(N=C3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H28N6O2/c1-18(20-15-31(25(33)34-26(2,3)4)22-11-7-5-9-19(20)22)29-30-14-13-24(28-16-30)32-17-27-21-10-6-8-12-23(21)32/h5-13,15-18,29H,14H2,1-4H3